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Google Scholar Profile
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| 0000-0002-8711-7783
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| 2024 | |
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| 346 | Paul O. Odeniran, Paradise Madlala, Nompumelelo P. Mkhwanazi, Mahmoud E. S. Soliman - Camptothecin (CPT) and its Derivatives from Traditional Chinese Medicine in Combination with Anti-Cancer Therapy Regimes – Meta-Analysis from 6,169 Patients, Cancers, Accepted
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| 345 | Mahmoud A. A. Ibrahim, Nada K. M. Ahmed, Amna H. M. Mahmoud, Mohamed A. El-Tayeb, Ashraf M. M. Abdelbacki, Shahzeb Khan,Mahmoud E. S. Soliman and Tamer Shoeib - RuC nanosheet as a promising biosensing material for detecting the aromatic amino acids: a DFT study, Nanoscale Advances, Accepted.
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| 344 | Mahmoud A.A. Ibrahim, Al-Shimaa S. M. Rady, Peter Ayoub Sidhom, Mahmoud E S Soliman, Shahzeb Khan, Mohamed A Eltayeb, Ashraf M M Abdelbacki, Lamiaa Mohamed -A comparative DFT study of beryllium oxide (Be12O12) and boron nitride (B12N12) nanocages as potent drug delivery systems for allopurinol drug, Chemical Physics Letters, 2024,857:141729
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| 343 | Mahmoud Ibrahim, Alaa M. A. Hassan, Gamal A. H. Mekhemer, Peter A. Sidhom, Mohamed A. El-Tayeb, Ashraf M. M. Abdelbacki, Shahzeb Khan, Mahmoud E. S. Soliman, Alaa H. M. Abdelrahman - Exploring Marine Natural Products for Identifying Putative Candidates as EBNA1 Inhibitors: An Insight from Molecular Docking, Molecular Dynamics, and DFT, Biochemical and Biophysical Research Communications, Accepted.
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| 342 | Mahmoud A. A. Ibrahim, Alaa M. A. Hassan, Eslam A. R. Mohamed, Gamal A. H. Mekhemer, Peter A. Sidhom, "Mohamed A. El-Tayeb, Shahzeb Khan,Tamer Shoeib, Mahmoud E. S. Soliman Alaa H. M. Abdelrahman - Repurposing of Drug Candidates against Epstein–Barr Virus: Virtual Screening, Docking Computations, Molecular Dynamics, and Quantum Mechanical Study, PLOS ONE, Accepted
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| 341 | Ibrahim Mahmoud, Saeed Rehab, Shehata Mohammed, Moussa Nayra, Soliman Mahmoud, Khan Shahzeb, El-Tayeb Mohamed, Shoeib Tamer - On the Versatility of the <i>sp</i>-, <i>sp</i><sup>2</sup>-, and <i>sp</i><sup>3</sup>-Hybridized Chalcogen-Bearing Molecules to Engage in Type I Chalcogen∙∙∙Chalcogen Interactions: A Quantum Mechanical Investigation of Like∙∙∙Like and Unlike Complexes, ACS Omega, Accepted
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| 340 | Ibrahim O. Kehinde, Ernest Oduro-Kwateng and Mahmoud E.S. Soliman - Allosteric Covalent Inhibition of TOE1 as Potential Unexplored Anti-Cancer Target: Structure-Based Virtual Screening and Covalent Molecular Dynamics Analysis, Journal of Receptors and Signal Transduction, Accepted.
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| 339 | Mahmoud A. A. Ibrahim, Heba S. M. Abd Elhafez, Mohammed N. I. Shehata, Nayra A. M. Moussa, Shaban R. M. Sayed, Mahmoud E. S. Soliman, Muhammad Naeem Ahmed, Mohamed Khaled Abd El-Rahman, and Tamer Shoeib - Radical and Radical-Hole Site-Based Interactions in Halogen-Bearing Dimers and Trimers: A Comparative Study, ACS Omega, Accepted.
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| 338 | Adewumi Thompon, Michael Oluyemi, Emmanuel Ogueli, Mahmoud E S Soliman and Mosebi, Salerwe - The characteristic structural and functional dynamics of P. falciparum DHFR binding with Pyrimidine chemotypes implicate malaria therapy design, Chemical Physics Impact, Accepted.
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| 337 | Musab Ali, Zhichao Zhang, Mahmoud A. A. Ibrahim and Mahmoud E. S. Soliman -Heat Shock Protein (Hsp27)-Ceramide Synthase (Cers1) Protein-Protein Interactions Provide a New Avenue for Unexplored Anti-Cancer Mechanism and Therapy, Journal of Receptors and Signal Transduction - Accepted.
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| 336 | Ernest Oduro-Kwateng, Musab Ali, Ibrahim Oluwatobi KEHINDE, Zhichao Zhang and Mahmoud E. S. Soliman - De Novo Rational Design of Peptide-Based Protein-Protein Inhibitors (PepPPIs) Approach by Mapping the Interaction Motifs of the PP Interface and Physicochemical Filtration: A Case on p25-Cdk5-Mediated Neurodegenerative Diseases, Journal of Cellular Biochemistry, Accepted.
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| 335 | Elliasu Y. Salifua, Abdul Rashid Issahaku, Clement Agonib, Pritika Ramharack, Mbuso K. Faya, Engelbert Nonterah, James Abugri, , Nader E. Abo-Dya, and Mahmoud E. S. Soliman - Zanubrutinib Unique Binding to Tyrosine Kinase Paves the Way to a New Era in Cancer Therapy: Structural Conformation Mapping and Atomistic Insights, Current Pharmaceutical Biotechnology, Accepted.
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| 334 | Ibrahim O. Kehinde, Oluwole B. Akawa, Adeniyi T. Adewumi Ali H. Rabbad and Mahmoud E S Sloliman, PCSK9 Inhibitors as Safer Therapeutics for Atherosclerotic Cardiovascular Disease (ASCVD): Pharmacophore Design and Molecular Dynamics Analysis, Journal of Cellular Biochemistry - Accepted
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| 333 | Oluwayimika Ibitoye and Mahmoud E S Soliman, Machine Learning in Enhancing Protein Binding Sites Predictions – What Has Changed Since Then?, Combinatorial Chemistry & High Throughput Screening, Accepted
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| 332 | Ernest Oduro-Kwateng and Mahmoud E. Soliman, Unveiling Therapeutic Frontiers: DON/DRP-104 as Innovative Plasma Kallikrein Inhibitors Against Carcinoma-Associated Hereditary Angioedema Shocks - A Comprehensive Molecular Dynamics Exploration, Cell Biochemistry and Biophysics - accepted.
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| 331 | Musab Ali, Ali H. Rabbad and Mahmoud E Soliman - Monastrol Disrupts KIFC1-ATP Dynamics: Towards Newer Anticancer Mechanism, Chemical Physics Impact, Accepted.
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| 330 | Ernest Oduro-Kwateng and Mahmoud E. Soliman - DON/DRP-104 As Potent Serine Protease Inhibitors Implicated in SARS-CoV-2 Infection – Comparative Binding Modes with Human TMPRSS2 and Novel Therapeutic Approach - Journal of Cellular Biochemistry, Accepted
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| 329 | Ghazi Elamin, Aimen Aljoundi, Mahmoud E.S Soliman, From Biological Activity to Stereoselectivity: A Portrait of Molecular and Mechanistic Profiles of the Therapeutic Potential of G-1 and LNS8801 as GPER-1 Activator in the Treatment of Waldenström’s Macroglobulinemia - Innovation Discovery 2024; 1(1):7
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| 328 | Ransford Oduro Kumi and Mahmoud E Soliman - Unlocking the Enigmas of Plasmodium Aspartyl Protease in Antimalarial Therapy: Flap Region Dynamics and Enzyme Repression of Non-Food Vacuole Using Molecular Dynamics Simulations, Current Pharmaceutical Biotechnology, Accepted.
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| 2023 | |
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| 327 | Oluwayimika Ibitoye, Mahmoud A. A. Ibrahim, and Mahmoud E. S. Soliman - Exploring the Composition of Protein-Ligand Binding Sites for Cancerous Inhibitor of PP2A (CIP2A) via inhibitor-guided Binding analysis– Paving a new way for the discovery of drug candidates against Triple Negative Breast Cancer (TNBC), Journal of Receptors and Signal Transduction, Accepted.
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| 326 | Oluwayimika E. Ibitoye and Mahmoud E.S Soliman, Comparative In Silico Studies for the Enhanced Inhibitory Properties of LG1838 over Enzalutamide Targeting Androgen Receptor (AR) for Castration-Resistance Prostate Cancer (CRPC) - Current Pharmaceutical Biotechnology, Accepted.
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| 325 | Ernest Oduro-Kwateng, Ali H. Rabbad, and Mahmoud E. Soliman, The Juxtaposition of Allosteric and Catalytic Inhibition in PLK1: Tradeoff for Chemotherapy and Thermodynamic Profiles of KBJK557 and BI 6727 - Journal of Computational Biophysics and Chemistry, Accepted.
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| 324 | Oluwole B. Akawa, Felix O. Okunlola, Mohammed Issa Alahmdi, Nader E. Abo-Dyac, Peter A. Sidhome, Mahmoud A. A. Ibrahim, Mohamed F. Shiblh, Shahzeb Khan and Mahmoud E. S. Soliman, Multi-Cavity Molecular Descriptor Interconnections: Enhanced Protocol for Prediction of Serum Albumin Drug Binding, European Journal of Pharmaceutics and Biopharmaceutics, Accepted.
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| 323 | Moyeenul Huq AKM, Abdul Rashid Issahaku, Mahmoud E. S. Soliman, Mohd Fadhlizil Fasihi Mohd Aluwi, Saiful Nizam Tajuddin, MIAH RONEY, Selected phytochemicals of Momordica charantia L. as potential anti-DENV-2 through the docking, DFT and molecular dynamic simulation, Journal of Biomolecular Structure and Dynamics, Accepted.
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| 322 | Zanele F. Dube, Opeyemi S. Soremekun, Thandokuhle Ntombela, Mohammed Issa Alahmdi, Nader E. Abo-Dya, Peter A. Sidhom, Ahmed M. Shawky, Mohamed F. Shibl, Alaa M. Alqahtani, Mahmoud A. A. Ibrahim and Mahmoud E. S. Soliman, Inherent Efficacies of Pyrazole-Based Derivatives for Cancer Therapy: The Interface Between Experiment and In-Silic, Future Medicinal Chemistry, Accepted.
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| 321 | Kamel Metwally, Nader E. Abo-Dya, Ahmed M. E. Hamdan, Maram N. Alrashidi, Mansour S. Alturki, Omar M. Aly, Aimen Aljoundi, Mahmoud Ibrahim and Mahmoud E.S Soliman, Investigation of Simultaneous and Sequential Cooperative Homotropic Inhibitor Binding to the Catalytic Chamber of SARS-CoV-2 RNA-dependent RNA Polymerase (RdRp), Cell Biochemistry and Biophysics - [LINK].
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| 320 | Lusanda M. Mtetwa, Elliasu Y. Salifu, Calvin A. Omolo, Mahmoud E. Soliman, Mbuso. Faya, Halting Aberrant DNA methylation via in silico Identification of Potent Inhibitors of DNMT3B enzyme: Atomistic Insights, Computational Biology and Chemistry,105, 2023, 107909
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| 319 | Riham R E Abouleisa, Jessica M. Miller, Ahmad Gebreil, Abou Bakr M. Salama, Marc Dwenger,Hania Abdelhafez, Reham M. Wahid, Adeniyi T. Adewumi, Mahmoud E.S. Soliman, Nader E. Abo-Dya, Tamer M A Mohamed - A Novel Small Molecule Inhibitor of p38⍺ MAP Kinase Augments Cardiomyocyte Cell Cycle Entry in Response to Direct Cell Cycle Stimulation - British Journal of Pharmacology, Accepted.
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| 318 | Roney, Miah; Issahaku, Abdul Rashid; Forid, Md Shaekh; Huq, AKM Moyeenul; Soliman, Mahmoud ES; Mohd Aluwi, Mohd Fadhlizil Fasihi; Tajuddin, Saiful Nizam - In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IV, Journal of Biomolecular Structure and Dynamics, Accepted.
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| 317 | Juliet Olayinka; OLUWOLE BIDEMI AKAWA; Emmanuela Kelechi Ogbu; Anthony Taghogho Eduviere; Mahmoud Soliman; Raymond Iduojemu Ozolua, Apigenin attenuates depressive-like behavior via modulating monoamine oxidase A enzyme activity in chronically stressed mice, Current Research in Pharmacology and Drug Discovery, Accepted.
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| 316 | Xylia Q. Peters, Ghazi Elamin,Aimen Aljoundi, Mohamed Issa Alahmdi,Nader E. Abo-Dya,Peter A. Sidhom, Ahmed M. Tawfeek, Mahmoud A. A. Ibrahim, Opeyemi Soremekun and Mahmoud E. S. Soliman "Therapeutic Path to Triple Knockout: Investigating the Pan-inhibitory Mechanisms of AKT, CDK9, and TNKS2 by a novel 2-Phenylquinazolinone derivative in Cancer Therapy- An In-Silico Investigation, Current Pharmaceutical Biotechnology, Accepted.
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| 315 | Abdul Rashid Issahaku, Samukelisiwe Minenhle Mncube, Elliasu Y. Salifu, Clement Agoni, Mohamed Issa Alahmdi, Nader E. Abo-Dya, Peter A. Sidhom, Ahmed M. Tawfeek, Mahmoud A. A. Ibrahim, Opeyemi Soremekun and Mahmoud E. S. Soliman - Multi-Dimensional Structural Footprints Identification for the Design of Potential Scaffolds Targeting METTL3 in Cancer Treatment from Natural Compounds, Journal of Molecular Modeling, Accepted.
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| 314 | Kamel Metwally , Nader E. Abo-Dya, Mohammed Issa Alahmdi, Maha Z. Albalawi, Galal Yahya, Aimen Aljoundi, Elliasu Y. Salifu, Ghazi Elamin, Mahmoud A. A. Ibrahim, Yasien Sayed, Sylvia Fanucchi, Mahmoud E.S. Soliman - The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)’s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19, Molecules, Accepted.
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| 313 | Xylia Q. Peters, Preantha Poonan, Elliasu.Y.Salifu, Mohamed Issa Alahmdi, Nader E. Abo-Dya and Mahmoud E. S. Soliman - Exploring the Effects of Chirality of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl) phenyl]imidazolidine-2,4-dione and its Derivatives on the Oncological Target Tankyrase 2. Atomistic Insights - Current Pharmaceutical Biotechnology, Accepted.
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| 312 | Samuel K. Kwofie *, Joseph Adams, Emmanuel Broni, Kweku S. Enninful, Clement Agoni, Mahmoud E.S. Soliman, Michael D. Wilson - Artificial Intelligence, Machine Learning and Big Data for Ebola Virus Drug Discovery - Pharmaceuticals, accepted.
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| 311 | Miah Roney, A. K. M. Moyeenul Huq, Abdul Rashid Issahaku, Mahmoud E. S. Soliman, Md. Sanower Hossain, Abu Hasnat Mustafa, Md. Alimul Islam, Amit Dubey, Aisha Tufail, Mohd Fadhlizil Fasihi Mohd Aluwi, and Saiful Nizam Tajuddin - Pharmacophore-based Virtual Screening and In-silico Study of Natural Products as Potential DENV-2 RdRp Inhibitors - Journal of Biomolecular Structure and Dynamics, Accepted.
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| 310 | Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Dina E. M. Mohamed, Khlood A. A. Abdeljawaad, Mohamed Ahmed Naeem, Gamal A. Gabr, Ahmed M. Shawky, Mahmoud E. S. Soliman, Peter A. Sidhom, Paul W. Paré, Mohamed-Elamir F. Hegazy - Chetomin, a SARS-CoV-2 3C-like protease (3CLpro) Inhibitor: In-silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis - Viruses, Accepted.
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| 309 | Brenda Udosen, Opeyemi Soremekun, Abram Bunya Kamiza, Tafadzwa Machipisa, Cisse Cheickna, Olaposi Idowu Omotuyi, Mahmoud E. S. Soliman, Mamadou Wele, Oyekanmi Nash, Tinashe Chikowore, Segun Fatumo - Meta-analysis and Multivariate GWAS Analyses in 77,850 Individuals of African Ancestry Identify Novel Variants Associated with Blood Pressure Traits, International Journal of Molecular Sciences, Accepted.
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| 308 | Adeniyi Thompson Adewumi, Wande Michael Oluyemi, Yemi Adekola Adekunle, Nonhlanhla Adewumi, Mohammed Issa Alahmdi, Nader E. Abodya and Mahmoud E. Soliman - Propitious Indazole Compounds as β-ketoacyl-ACP Synthase Inhibitors and Mechanisms Unfolded for TB Cure: Integrated Rational Design and MD Simulations - ChemistrySelect, Accepted.
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| 2022 |
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| 307 | Ransford Oduro Kumi, Belinda Oti, Mohamed Issa Alahmidi, Mahmoud E. S. Soliman * and Nader Elmaghwry Abodya, Bridging the Gap in Malaria Parasite Resistance, Current Interventions, and the Way Forward from in silico Perspective: A Review - Molecules, Accepted.
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| 306 | *Soliman et al - Probing into the flap-dimer dynamics of the Mycobacterium tuberculosis KasA enzyme binding landscape provides the underlying inhibitory mechanisms of JSF-3285 and 5G - Current Topics in Medicinal Chemistry, Accepted.
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| 305 | Ransford Oduro Kumi, Belinda Oti, Nader Elmaghwry Abodya, Mohamed Issa Alahmidi, Mahmoud E. S. Soliman -Bridging the Gap in Malaria Parasite Resistance, Current Interventions, and the Way Forward from in silico Perspective: A Review - Molecules, Accepted
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| 304 | Preantha Poonan, Xylia Q Peters, Mohamed Issa Alahmdi, Nader E. Abo-Dya, Mahmoud E.S Soliman - Pharmacophore-based Identification of Potential Mutant Isocitrate Dehydrogenases I/2 Inhibitors: An Explorative Avenue in Cancer Drug Design - Anti-Cancer Agents in Medicinal Chemistry - Accepted.
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| 303 | Ibrahim MAA, Shehata MNI, Rady A-sSM, Abuelliel HAA, Abd Elhafez HSM, Shawky AM, Oraby HF, Hasanin THA, Soliman MES, Moussa NAM. Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study. International Journal of Molecular Sciences. 2022; 23(21):13023
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| 302 | Elamin G, Aljoundi A, Alahmdi MI, Abo-Dya NE, Soliman MES. Battling BTK mutants with noncovalent inhibitors that overcome Cys481 and Thr474 mutations in Waldenström macroglobulinemia therapy: structural mechanistic insights on the role of fenebrutinib. J Mol Model. 2022 Oct;28(11) 355.
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| 301 | *Soliman et al, Unravelling the Structural Mechanism of Action of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione in Dual-Targeting Tankyrase 1 and 2: A Novel Avenue in Cancer Therapy, Cell Biochemistry and Biophysics - Accepted.
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| 300 | *Soliman et al, Talazoparib Dual-targeting on Poly (ADP-ribose) Polymerase-1 and -16 Enzymes Offers a Promising Therapeutic Strategy in Small Cell Lung Cancer Therapy: Insight from Biophysical Computations - Cell Biochemistry and Biophysics - Accepted.
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| 299 | Ibrahim MAA, Mahmoud AHM, Mekhemer GAH, Shawky AM, Soliman MES, Moussa NAM. Adsorption Behavior of Toxic Carbon Dichalcogenides (CX2; X = O, S, or Se) on β12 Borophene and Pristine Graphene Sheets: A DFT Study. Nanomaterials,2022 Sep 29;12(19):3411
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| 298 | Abdul Rashid Issahaku, Mahmoud A. A. Ibrahim, Namutula Mukelabai and Mahmoud E. S. Soliman, Intermolecular And Dynamic Investigation of The Mechanism of Action Of Reldesemtiv on Fast Skeletal Muscle Troponin Complex Toward the Treatment Of Impaired Muscle Function has been, The Protein Journal, Accepted.
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| 297 | Ibrahim MAA, Rady A-sSM, Mandarawe AMA, Mohamed LA, Shawky AM, Hasanin THA, Sidhom PA, Soliman MES, Moussa NAM. Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study. Pharmaceuticals. 2022; 15(10):1181
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| 296 | El Habbash AI, Aljoundi A, Elamin G, Soliman MES. Probing Alterations in MDM2 Catalytic Core Structure Effect of Garcinia Mangostana Derivatives: Insight from Molecular Dynamics Simulations. Cell Biochem Biophys.
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| 295 | Ransford Oduro Kumi, Elliasu Salifu Yakubu, Clement Agoni, Akawa Oluwole Bidemi, Mahmoud E.S. Soliman, Disrupting the characteristic twist motion; tailored in silico approach towards the design of plasmepsin inhibitors, Informatics in Medicine Unlocked, Volume 33, 2022.
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| 294 | David Ebuka Arthur, Mahmoud E.S. Soliman, Shola Elijah Adeniji, Oluwaseye Adedirin, Florence Peter - QSAR AND MOLECULAR DOCKING STUDY OF GONADOTROPIN-RELEASING HORMONE RECEPTOR INHIBITORS - Scientific African,Volume 17, 2022.
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| 293 | Kuriakose A, Nair B, Abdelgawad MA, Adewum AT, Soliman MES, Mathew B, Nath LR. Evaluation of the active constituents of Nilavembu Kudineer for viral replication inhibition against SARS-CoV-2: An approach to targeting RNA-dependent RNA polymerase (RdRp). J Food Biochem. - Accepted
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| 292 | Hoque MN,Sarkar MMH,Khan MA,Hossain MA,Hasan MI,Rahman MH,Habib MA,Akter S,Banu TA,Goswami B,Jahan I,Nafisa T,Molla MMA,Soliman ME,Araf Y,Khan MS,Zheng C andIslam T- Differential gene expression profiling reveals potential biomarkers and pharmacological compounds against SARS-CoV-2: Insights from machine learning and bioinformatics approaches, Frontiers in Immunology, (2022), 3875, 13
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| 291 | Akwasi Boadu, Clement Agoni, Rajshekhar Karpoormath, Mahmoud Solimana nd Manimbulu Nlooto - Repurposing antiviral phytochemicals from the leaf extracts of Spondias mombin (Linn) towards the identification of potential SARSCOV-2 inhibitors - Scientific Reports, Accepted.
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| 290 | Xylia Q. Peters, Clement Agoni and Mahmoud E. S. Soliman - Unravelling the Structural Mechanism of Action of 5-methyl-5-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione in Dual-Targeting Tankyrase 1 and 2: A Novel Avenue in Cancer Therapy", Cell Biochemistry and Biophysics - Accepted.
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| 289 | Mahmoud A.A. Ibrahim, Rehab R.A. Saeed, Mohammed N.I. Shehata, Esraa E.B. Mohamed, Mahmoud E.S. Soliman, Jabir H. Al-Fahemi, H.R. Abd El-Mageed, Muhammad Naeem Ahmed, Nayra A.M. Moussa - Unexplored σ-Hole and π-Hole Interactions in (X2CY)2 Complexes (X = F, Cl; Y = O, S)- Journal of Molecular Structure, Accepted.
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| 288 | Abdul Rashid Issahaku, Elliasu Y. Salifu and Mahmoud E. S. Soliman - Inside the Cracked Kernel: Establishing the Molecular Basis of AMG510 and Mrtx849 in Destabilising KRASG12C Mutant Switch I and II In Cancer Treatment - Journal of Biomolecular Structure & Dynamics, Accepted.
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| 287 | Abdul Rashid Issahaku and Mahmoud E.S Soliman - Covalent vs Non Covalent; Investigating the Impact of Covalent and Non-covalent Binding Modes of Inhibitors on Bruton’s Tyrosine Kinase in the Treatment of B Cell Malignancies-Computational Insights - Current Pharmaceutical Biotechnology, Accepted.
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| 286 | Ghazi Elamin, Aimen Aljoundi and Mahmoud E.S. Soliman - Co-binding of JQ1 and Venetoclax exhibited synergetic inhibitory effect for cancer therapy; Potential line of treatment for the Waldenström macroglobulinemia lymphoma - Chemistry and Biodiversity, Accepted.
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| 285 | Chwayita Mgoboza; Felix O. Okunlola; Oluwole B. Akawa; Aimen Aljoundi; Mahmoud E. Soliman -Talazoparib Dual-Targeting on Poly (ADP-ribose) Polymerase-1 and -16 enzymes Offers a Promising Therapeutic Strategy in Small Cell Lung Cancer Therapy: Insight from biophysical computations - Cell Biochemistry and Biophysics, Accepted.
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| 284 | Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Laila A. Jaragh-Alhadad, Hesham Farouk Oraby, Eslam B. Elkaeed, Gamal A. H. Mekhemer, Gamal A. Gabr, Ahmed M. Shawky, Peter A. Sidhom, Mahmoud E. S. Soliman, Mahmoud F. Moustafa, Paul W. Paré and Mohamed-Elamir F. Hegazy 14 - Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study - Molecules, Accepted.
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| 283 | Aisha I. El habbasha, Ahmed El Rashedya, and Mahmoud E.S Soliman - Comparative Dynamic Features of Apo and Bound MDM2 Protein Reveal the Mechanism of Inhibitor Recognition for Anti-Cancer Activity - Current Medicinal Chemistry, Accepted.
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| 282 | Elliasu Y. Salifu, Issahaku A. Rashid and Mahmoud E. S. Soliman - Impact of Compound mutations I1171N + F1174I and I1171N + L1198H on the structure of ALK in NSCLC Pathogenesis: Atomistic Insights - Journal of Biomolecular Structure & Dynamics, Accepted.
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| 281 | Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, Afnan A. K. Kamel, Mohammed N. I. Shehata, Muhammad Naeem Ahmed, Fouad Taha, Mohammed A. S. Abourehab, Ahmed M. Shawky, Eslam B. Elkaeed, Mahmoud E. S. Soliman -External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes, Molecules, Accepted.
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| 280 | Abdul Rashid Issahaku, Aimen Aljoundi, and Mahmoud E.S Soliman - Establishing The Mutational Effect on The Binding Susceptibility of AMG510 To KRAS Switch II Binding Pocket: Computational Insights, Informatics in Medicine Unlocked, Accepted.
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| 279 | Khalid A. Agha, Nader E. Abo-Dya, Abdul Rashid Issahaku, Clement Agoni, Mahmoud E. S. Soliman, Eatedal H. Abdel-Aal, Zakaria K. Abdel-Samii, and Tarek S.Ibrahim - Novel Sunifiram-Carbamate Hybrids as Potential Dual Acetylcholinesterase Inhibitor and NMDAR Co-Agonist: Simulation-Guided Analogue Design and Pharmacological Screening - Journal of Enzyme Inhibition, Accepted.
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| 278 | Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Kamal A. Soliman, Gamal A. H. Mekhemer, Muhammad Naeem Ahmed, Ahmed M. Shawky, Mohammed A. S. Abourehab, Eslam B. Elkaeed, Mahmoud E. S. Soliman, Nayra A. M. Moussa - Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study - Nanomaterials, Accepted.
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| 277 | Ibrahim, Mahmoud; Moussa, Nayra; Saad, Sherif; Ahmed, Muhammad; Shawky, Ahmed; Soliman, Mahmoud; Mekhemer, Gamal; Rady, Al-shimaa, σ-Hole and LP-Hole Interactions of Pnicogen∙∙∙Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study - ACS Omega, Accepted
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| 276 | Mahmoud A. A. Ibrahim, Rehab R. A. Saeed, Mohammed N. I. Shehata, Muhammad Naeem Ahmed, Ahmed M. Shawky, Manal M. Khowdiary, Eslam B. Elkaeed, Mahmoud E. S. Soliman, Nayra A. M. Moussa, Type I–IV Halogen∙∙∙Halogen Interactions: A Comparative Theoretical Study in Halobenzene∙∙∙Halobenzene Homodimers - International Journal of Molecular Sciences, Accepted.
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| 275 | Opeyemi Soremekun, Ville Karhunen, Yiyan He,bSkanda Rajasundaram, Bowen Liu, Apostolos Gkatzionis, Chisom Soremekun, Brenda Udosen, Hanan Musa, Sarah Silva, Christopher Kintu, Richard Mayanja, Mariam Nakabuye, Tafadzwa Machipisa,Amy Mason, Marijana Vujkovic, Verena Zuber, Mahmoud Soliman,Joseph Mugisha, Oyekanmi Nash, Pontiano Kaleebu, Moffat Nyirenda, Tinashe Chikowore, Dorothea Nitsch, Stephen Burgess, Dipender Gilland Segun Fatumoa - Lipid traits and type 2 diabetes risk in African ancestryindividuals: A Mendelian Randomization study, eBioMedicine, Accepted
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| 274 | Lidia Ciccone, Giovanni Petrarolo, Francesca Barsuglia, Carole Fruchart-Gaillard, Evelyne Cassar Lajeunesse, Adeniyi T. Adewumi, Mahmoud E. Soliman, Concettina La Motta, Elisabetta Orlandini and Susanna Nencetti - Nature-Inspired O-Benzyl Oxime-Based Derivatives as New Dual-Acting Agents Targeting Aldose Reductase and Oxidative Stress - Biomolecules, Accepted
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| 273 | Ghazi Elamin, Aimen Aljoundi and Mahmoud E.S. Soliman - Multi-Catalytic Sites Inhibition of Bcl2 Induces Expanding of Hydrophobic Groove: A new Avenue Towards Waldenström macroglobulinemia therapy, The Protein Journal - Accepted.
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| 272 | Mathew, Bijo; Oh, Jong ; Abdelgawad, Mohamed; Khames, Ahmed; Ghoneim, Mohammed; KUMAR, SUNIL; Nath, Lekshmi ; Sudevan, Sachithra ; Parambi, Della Grace Thomas ; Agoni, Clement ; Soliman, Mahmoud; Kim, Hoon, Conjugated dienones from differently substituted cinnamaldehyde as highly potent monoamine oxidase-B inhibitors: Synthesis, biochemistry, and computational chemistry, ACS Omega - Accepted
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| 271 | Adeniyi T. Adewumi, Oluwole B. Akawa, Temitayo I. Subair "Felix O. Okunlola, Oluwayimika E. Akinsuku, Shahzeb Khan and Mahmoud E. Soliman, Simulation Models for Prediction of Bioavailability of Medicinal Drugs – The Interface between Experiment and Computation, AAPS PharmSciTech - Accepted.
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| 270 | Ransford O. Kumi, Clement Agoni, Mahmoud A. A. Ibrahim and Mahmoud E. S. Soliman, Dual Enzymatic Inhibitory Mechanism of WM382 on Plasmepsin IX and X: Atomistic Acumen from Dynamic Analysis, Informatics in Medicine Unlocked - Accepted.
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| 269 | Ali Rabbad, Clement Agoni and Mahmoud Soliman, Pseudouridimycin (PUM) Interrupts Bacterial RNA Polymerase Bridge Helix Conformational Arrangement: Structural Insights into the Mechanisms of PUM Inhibition, Current Pharmaceutical Biotechnology - Accepted.
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| 268 | Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Laila A. Jaragh-Alhadad, Mohamed A. M. Atia, Othman R. Alzahrani, Muhammad Naeem Ahmed, Moustafa Sherief Moustafa, Mahmoud E. S. Soliman, Paul W. Paré, Mohamed-Elamir F. Hegazy, Peter A. Sidhom, Exploring Toxins for hunting SARS-CoV-2 Main Protease Inhibitors: Molecular docking, molecular dynamics, pharmacokinetic properties, and Reactome study, Pharmaceuticals - Accepted.
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| 267 | Abdul-Rashid Issahaku, Elliasu Y. Salifu, Mahmoud E. S. Soliman - Establishing The Mutational Effect on The Binding Susceptibility of AMG510 To KRAS Switch II Binding Pocket: An Intra-Molecular Mechanism Of Communication In Cancer Treatment, Informatics in Medicine Unlocked - Accepted.
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| 266 | Mahmoud A. A. Ibrahim, Mahmoud E S Soliman, et al, Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: An in silico drug discovery study, Molecular Diversity - Accepted.
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| 265 | Temitayo I. Subair, Opeyemi S.Soremekun, Fisayo A.Olotu and Mahmoud E. S. Soliman, From a Computational Perspective: Elucidating the Neurotherapeutic and Inhibitory properties of LRRK2 by a benzothiazole-based compound in the Treatment of Parkinson’s Disease, Current Pharmaceutical Biotechnology - Accepted
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| 264 | Mahmoud A. A. Ibrahim, Mohammed N. I. Shehata,Mahmoud E. S. Soliman,Mahmoud F. Moustafa, H. R. Abd El-Mageede and Nayra A. M. Moussa, Unusual chalcogen⋯chalcogen interactions in like⋯like and unlike Y[double bond, length as m-dash]C[double bond, length as m-dash]Y⋯Y[double bond, length as m-dash]C[double bond, length as m-dash]Y complexes (Y = O, S, and Se - Phys. Chem. Chem. Phys., 2022,24, 3386-3399
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| 263 | Fisayo A. Olotu and Mahmoud E. Soliman, Deciphering the molecular mechanisms of selective non-covalency demonstrated differentially by 9-Allylnaphtho[1,8-ef]isoindole-7,8,10(9 H)-trione (C11) against Fibroblast Growth Factor Receptors 1-4, Journal of Biomolecular Structure & Dynamics - Accepted.
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| 262 | Mahmoud A A Ibrahim, Yasmeen A M Mohamed, Heba S M Abd Elhafez, Mohammed N I Shehata, Mahmoud E S Soliman, Muhammad Naeem Ahmed, H R Abd El-Mageed, Nayra A M Moussa, R •-hole interactions of group IV-VII radical-containing molecules: A comparative study, Journal of Molecular Graphics and Modelling - Accepted.
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| 261 | Wande M. Oluyemi, Babatunde B. Samuel, Adeniyi T. Adewumi, Yemi A. Adekunle,Mahmoud E. S. Soliman, and Liselotte Krenn, An Allosteric Inhibitory Potential of Triterpenes from Combretumracemosum on the Structural and Functional Dynamics of Plasmodium falciparum Lactate Dehydrogenase Binding Landscape, Chemistry & Biodiversity - Accepted.
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| 260 | Elliasu Y. Salifu, Abdul Rashid Issahaku , Clement Agoni, Mahmoud A. A. Ibrahim, Nlooto, Manimbulu, Mahmoud E. S. Soliman, Prioritizing the Catalytic Gatekeepers through Pan- Inhibitory Mechanism of Entrectinib against ALK, ROS1 and TRKA Tyrosine Kinases, Cell Biochemistry and Biophysics - Accepted.
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| 259 | Elliasu Y. Salifu, , Clement Agoni, Mahmoud E. S. Soliman, Highlighting the Mechanistic Role of Olutasidenib (FT-2102) in the Selective Inhibition of Mutated Isocitrate Dehydrogenase 1 (mIDH1) in Cancer Therapy, Informatics in Medicine Unlocked - Accepted
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| 258 | Clement Agoni, Abdul Rashid Issahaku, Ahmed Khames, Mohamed A. Abdelgawad Mahmoud E. S. Soliman, Bijo Mathew, " Extended double bond conjugation in the chalcone framework favours MAO-B inhibition: A structural perspective from molecular dynamics simulation" Combinatorial High Throughput Screening - Accepted
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| 257 | Bijo Mathew , Jong Min Oh, Ahmed Khames , Mohamed A Abdelgawad , T M Rangarajan , Lekshmi R Nath, Clement Agoni, Mahmoud E S Soliman, Githa Elizabeth Mathew , Hoon Kim, "Replacement of Chalcone-Ethers with Chalcone-Thioethers as Potent and Highly Selective Monoamine Oxidase-B Inhibitors and Their Protein-Ligand Interactions”, Pharmaceuticals - Accepted
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| 256 | Clement Agoni Elliasu Y. Salifu, Samuel K. Kwofie, Gill Enslin and Mahmoud Soliman, “Dual-Inhibition of Human N-Myristoyltransferase Subtypes Halts Common Cold Pathogenesis: Atomistic Perspectives from The Case Of IMP-1088”, Chemistry and Biodiversity - Accepted
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| 255 | Ghazi Elamin, Aimen Aljoundi and Mahmoud E.S. Soliman, A synergistic multitargeted of BET and HDAC: an intra-molecular mechanism of communication in treatment of Waldenström macroglobulinemia, Molecular Simulation - Accepted
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| 2021 |
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| | |
| 254 | Oluwole B. Akawa, Temitayo I. Subair, Kehinde F. Omolabi, Felix O. Okunlola, Mahmoud ES. Soliman,"Mechanistic Insights into the Selective Dual BET and PLK1 Inhibitory Activity of a Novel Benzamide Compound in Castration-Resistant Prostate Cancer", Chemistry and Biodiversity - Accepted
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| 253 | Opeyemi Soremekun, Chisom Soremekun, Tafadzwa Machipisa, Mahmoud Soliman, Oyekanmi Nashiru, Tinashe Chikowore, Segun Fatumo. Genome-wide association and Mendelian Randomization Analysis Reveals the Causal Relationship between White Blood Cell Subtypes and Asthma in Africans. Frontiers in Genetics- Accepted
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| 252 | Mahmoud I. I. Ibrahim, Yasmeen A. M. Mohamed, Hassan A. A. Abuelliel,
Al-shimaa S. M. Rady,Mahmoud E. S. Soliman, Muhammad Naeem Ahmed,Lamiaa A. Mohamed, and Nayra A. M. Moussa, σ-Hole Interactions of Tetrahedral Group IV-VIII Lewis Acid Centers with Lewis Bases: A Comparative Study - ChemistrySelect - Accepted.
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| 250 | Akawa Oluwole B., Soremekun Opeyemi P., Olotu Fisayo A. and Soliman Mahmoud ,Bromodomain-containing proteins ligand binding selectivity: Atomistics insights for therapeutic use of 6-(2.4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1,2-a]pyrazin-1(2H)-one, Computational Biology and Chemistry - Accepted
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| 249 | Felix O. Okunlola, Oluwole B Akawa, Mahmoud E.S. Soliman, Could the spanning of NAM-AD subsites by poly (ADP ribose) polymerase inhibitors potentiate their selective inhibitory activity in breast cancer treatment? Insight from biophysical computations, Molecular Simulation - Accepted
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| 248 | Ibrahim, Mahmoud; Kamel, Afnan; Soliman, Mahmoud; Moustafa, Mahmoud ; Abd El-Mageed, Hamada; Taha, Fouad ; Mohamed, Lamiaa; Moussa, Nayra, "Effect of External Electric Field on Tetrel Bonding Interactions in (FTF<sub>3</sub>∙∙∙FH) Complexes (T = C, Si, Ge, Sn)", ACS Omega - Accepted
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| 247 | Patrick Appiah-Kubi, Emmanuel Amarachi Iwuchukwu and Mahmoud E S Soliman, ''Structure-based identification of novel scaffolds as potential HIV-1 entry inhibitors involving CCR5'', Journal of Biomolecular Structure and Dynamics - Accepted.
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| 246 | Preantha Poonan, Clement Agoni, Mahmoud A.A. Ibrahim and Mahmoud E S Soliman, "Glioma-Targeted Therapeutics: Computer-Aided Drug Design Prospective", The Protein Journal - Accepted
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| 245 | Kehinde F. Omolabi, Paul O. Odeniran and Mahmoud E.S Soliman, "A meta-analysis of Cryptosporidium species in humans from southern Africa (2000 - 2020)", Journal of Parasitic Diseases - Accepted.
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| 244 | Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Othman R. Alzahrani, Fahad M. Alshabrmi, Esraa Khalaf, Mahmoud F. Moustafa, Faris Alrumaihi, Khaled S.Allemailem, Mahmoud E. Soliman, Paul W. Paré, Mohamed-Elamir F. Hegazy, Mohamed A. M. Atia, ''Non-β-lactam allosteric inhibitors target methicillin-resistant Staphylococcus aureus: an in silico drug-discovery study'', Antibiotics - Accepted.
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| 243 | Felix O. Okunlola, Oluwole B. Akawa, Temitayo I. Subair, Kehinde F. Omolabi and Mahmoud E.S. Soliman1,"Unraveling the mechanistic role of quinazolinone pharmacophore in the inhibitory activity of bis-quinazolinone derivative on Tankyrase-1 in the treatment of colorectal cancer (CRC) and non-small cell lung cancer (NSCLC): A computational approach", Cell Biochemistry and Biophysics - Accepted.
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| 242 | Mahmoud A. A. Ibrahim, Al‑shimaa S. M. Rady1, Mahmoud E. Soliman, Mahmoud F. Moustafa, H. R. Abd El‑Mageed, Nayra A. M. Moussa, "π-hole interactions of group III–VI elements with π-systems and Lewis bases: a comparative study'', Structural Chemistry - Accepted.
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| 241 | Temitayo I. Subair; Oluwole B. Akawa; Opeyemi S. Soremekun; Fisayo A. Olotu and Mahmoud Soliman, ''Insight into the therapeutic potential of a bicyclic hydroxypyridone compound as COMT inhibitor in the treatment of Parkinson’s Disease: A Molecular Dynamic Simulation Approach'', Chemistry & Biodiversity - Accepted
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| 240 | Ibrahim, Mahmoud; Kamel, Afnan; Soliman, Mahmoud; Moustafa, Mahmoud ; Abd El-Mageed, Hamada; Taha, Fouad ; Mohamed, Lamiaa; Moussa, ''NayraEffect of External Electric Field on Tetrel Bonding Interactions in (FTF<sub>3</sub>∙∙∙FH) Complexes (T = C, Si, Ge, Sn)", ACS Omega - Accepted
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| 239 | Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Mohamed A. M. Atia, Tarik A. Mohamed, Mahmoud F. Moustafa, Abdulrahim R. Hakami, Shaden A. M. Khalifa, Fahad A. Alhumaydhi, Faris Alrumaihi, Syed Hani Abidi, Khaled S. Allemailem, Thomas Efferth, Mahmoud E. Soliman, Hesham R. El-Seedi , Paul W. Paré, Mohamed-Elamir F. Hegazy, ''Blue Biotechnology: Computational Screening of Sarcophyton Cembranoid Diterpenes for SARS-CoV-2 Main Protease Inhibition'', Marine Drugs - Accepted
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| 238 | Felix O. Okunlola, Fisayo A. Olotu, Mahmoud E.S. Soliman, ''Unveiling the mechanistic roles of chlorine substituted phthalazinone-based compounds containing chlorophenyl moiety towards the differential inhibition of Poly (ADP-ribose) Polymerase-1 in the treatment of lung cancer'', Journal of Biomolecular Structure & Dynamics - Accepted |
| 237 | Temitayo I. Subair, Opeyemi S. Soremekun, Fisayo A. Olotu and Mahmoud Soliman, Prospecting the Therapeutic Edge of a Novel Compound (B12) Over Berberine in the Selective Targeting of Retinoid X Receptor in Colon Cancer, Journal of Molecular Modelling - Accepted.
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236
| Aimen Aljoundi, Ahmed El Rashedy and Soliman M E S, "Comparison of irreversible inhibition targeting HSP72 protein - the resurgence of covalent drug developments", Molecular Simulations - Accepted |
| 235 | Mithun Rudrapal, Abdul Rashid Issahaku, Clement Agoni, Atul R. Bendale, Anil G. Jadhav, Akhil Nagar, Mahmoud E. S. Soliman, Deepak Lokwani - In Silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2, Journal of Biomolecular Structure & Dynamics- Accepted
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| 234 | Aathira Sujathan Nair, Jong Min Oh, P. K. Vishal, Sunil Kumar, T.S. Sachithra, Opeyemi Soremekun, Mahmoud E. Soliman, Lenna K Pappachen, Bijo Mathew and Hoon Kim, Development of Halogenated Pyrazolines as Selective Monoamine Oxidase-B Inhibitors: Unveiling the Key Roles of Halogen Bonding by Molecular Dynamics Approach - Molecules - Accepted
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| 233 | Nitin Ghatpande, Deepak Phal, Rajshekhar Karpoormath, Mahmoud Soliman, Jagannath Jadhav, Prafulla Choudhari and Mahidansha M. Shaikh, Synthesis, Biological Evaluation and Molecular Docking of Novel N-Acyl/Aroyl Spiro[Chromane-2,4′-Piperidin]-4(3H)-One as Potent Anti-Microbial Agents - Polycyclic Aromatic Compounds - Accepted
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| 232 | Preantha Poonan, Clement Agoni and Mahmoud Soliman, Dual-Knockout of Mutant Isocitrate Dehydrogenase 1 and 2 Subtypes towards Glioma Therapy: Structural Mechanistic insights on the role of Vorasidenib, Chemistry and Biodiversity - Accepted
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| 231 | John Oludele Olanlokun, Praise Oghenegare Okoro, Olatunde Shegun Lawal, Olusola Bodede, Fisayo A. Olotu and Oyebode Thomas Idowu, Gerhard Prinsloo, Mahmoud Soliman and Olufunso Olabode Olorunsogu (2021), "Betulinic acid purified from Alstonia boonei inhibits folate biosynthesis in malarial Plasmodium, enhances mitochondrial pore opening and F1F0 ATPase in mice, Journal of Molecular Structure, 1239:130454
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| 230 | Vyshnavie R. Sarma, Fisayo A. Olotu and Mahmoud E. S Soliman, (2021), "Integrative immunoinformatics paradigm for predicting potential B-cell and T-cell epitopes as viable candidates for subunit vaccine design against COVID-19 virulence", Biomedical Journal -Accepted
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| 229 | Fisayo A. Olotu, Kehinde F. Omolabi, and Mahmoud E. S. Soliman (2021), " Piece of the Puzzle: Remdesivir disassembles the multimeric SARS-CoV-2 RNA-dependent RNA Polymerase complex" Cell Biochemistry and Biophysics-Accepted
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| 228 | Kehinde F. Omolabi, Clement Agoni, Fisayo A. Olotu and Mahmoud E. S. Soliman (2021), " Finding the Needle in the Haystack"- Will Natural Products Fit for Purpose in the Treatment of Cryptosporidiosis? - A Theoretical Perspective" Molecular Simulation-Accepted
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| 227 | Felix O. Okunlola; Opeyemi S. Soremekun, Fisayo A. Olotu; Mahmoud Soliman (2021), Elucidating the Dynamics and Selective Mechanistic Mode of Inhibition of a Novel Poly ADP-Ribose Polymerase-1 Inhibitor, Letters in Drug Design & Discovery-Accepted.
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| 226 | Felix O. Okunlola; Opeyemi S. Soremekun, Fisayo A. Olotu; Mahmoud Soliman (2021) East to West not North-West: Structure-based Mechanistic Resolution of 8-hydroxyl replacement and resulting effects on the activities of Imidazole-Based Heme Oxygenase-1 Inhibitors, The Protein Journal-Accepted
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| 225 | Oluwole B. Akawa, Temitayo I. Subair, Opeyemi S. Soremekun, Fisayo A. Olotu, and Mahmoud E.S. Soliman (2021) "Structural Alterations in The Catalytic Core of hSIRT2 Enzyme Predict Therapeutic Benefits of Garcinia mangostana Derivatives in Alzheimer’s Disease: Molecular Dynamics Simulation Study", RSC Advances-Accepted
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| 224 | Oluwole Akawa; Opeyemi S. Soremekun, Fisayo A. Olotu; Mahmoud Soliman (2021) "Piecing the fragments together: Dynamical insights into the enhancement of BRD4-BD1 (BET protein) druggability in cancer chemotherapy using novel 8-methyl-pyrrolo[1,2-a]pyrazin-1(2H)-one derivatives", Current Pharmaceutical Biotechnology-Accepted.
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| 223 | Kehinde F. Omolabi, Paul O. Odeniran, Fisayo A. Olotu and Mahmoud E. S. Soliman (2021), " A Mechanistic Probe into the Dual Inhibition of T. cruzi Glucokinase and Hexokinase in Chagas Disease Treatment - A Stone Killing Two Birds?" Chemistry & Biodiversity-Accepted.
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| 222 | Mary Ajadi, Opeyemi Soremekun, Adeniyi T. Adewumi, Hezekiel Kumalo and Mahmoud Soliman (2021), "Functional Analysis of Single Nucleotide Polymorphism in ZUFSP protein and Implication in Pathogenesis”, The Protein Journal-Accepted.
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| 221 | Mary Ajadi, Opeyemi Soremekun, Adeniyi T. Adewumi, Hezekiel Kumalo and Mahmoud Soliman (2021), "Probing protein-protein interactions and druggable site identification: Mechanistic binding events between Ubiquitin and Zinc finger with UFM1-specific peptidase domain protein (ZUFSP)”,Combinatorial Chemistry & High Throughput Screening-Accepted.
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| 220 | Kehinde F. Omolabi, Emmanuel A. Iwuchukwu, Clement Agoni, Fisayo A. Olotu and Mahmoud E. S. Soliman (2021), " A Probable Means to an End: Exploring P131 Pharmacophoric Scaffold to Identify Potential Inhibitors of Cryptosporidium parvum Inosine Monophosphate Dehydrogenase" Journal of Molecular Modelling-Accepted
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| 219 | Patrick Appiah-Kubi and Fisayo A. Olotu Mahmoud Soliman (2021), "Exploring the structural basis and atomistic binding mechanistic of the selective antagonist blockade at D3 dopamine receptor over D2 dopamine receptor", Journal of Molecular Recognition-Accepted
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| 218 | Opeyemi Soremekun, Chisom Ezenwa, Mahmoud Soliman, Tinashe Chikowore, Oyekanmi Nashiru and Segun Fatumo (2021), "Transcription-translation error: In-silico investigation of the structural and functional impact of deleterious single nucleotide polymorphisms in GULP1 gene", Informatics in Medicine Unlocked, 100503.
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| 217 | Oluwayimika E. Akinsuku, Opeyemi Soremekun and Mahmoud Soliman (2021),Update and Potential Opportunities in CBP [cyclic adenosine monophosphate (cAMP) response element-binding protein (CREB)-binding protein] Research using Computational Techniques. The Protein Journal-Accepted
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| 216 | Da Feng, Xiaofang Zuo, Lanlan Jing, Chin-Ho Che, Fisayo A Olotu, Hao Lin, Mahmoud Soliman, Erik De Clercq, Christophe Pannecouque, Kuo-Hsiung Lee, Dongwei Kang, Xinyong Liu and Peng Zhan (2021) Design, synthesis, and evaluation of dual-site-binding diarylpyrimidines targeting both NNIBP and the NNRTI adjacent site of the HIV-1 reverse transcriptase", European Journal of Medicinal Chemistry-Accepted
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| 215 | Temitayo I. Subair, Opeyemi Soremekun, Fisayo A. Olotu and Mahmoud E. S. Soliman (2021), "Therapeutic Path to Double Knockout: Investigating the Selective Dual-inhibitory Mechanisms of Adenosine Receptors A1 and A2 by a novel methoxy-substituted benzofuran derivative in the Treatment of Parkinson’s Disease", Cell Biochemistry and Biophysics-Accepted
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| 214 | Felix O. Okunlola; Opeyemi S. Soremekun, Fisayo A. Olotu; Mahmoud Soliman (2021) "Investigating the mechanistic inhibitory discrepancies of novel halogen and alkyl di-substituted oxadiazole-based dibenzo-azepine-dione derivatives on Poly (ADP-ribose) Polymerase-1", Chemistry and Biodiversity-Accepted.
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| 213 | Ismail Hdoufane, Imane Bjij, Mehdi Oubahmane, Mahmoud Soliman, Didier Villemin, Driss Cherqaoui and (2021), "In silico design and analysis of NS4B inhibitors against hepatitis C virus", Journal of Biomolecular Structure & Dynamics-Accepted.
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| 212 | Joyce Oloaigbe, Emmanuel A. Iwuchukwu, Collins U. Ibeji, Okiamute Okpalefe, Mahmoud E. S. Soliman (2021), "Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach", Journal of Biomolecular Structure & Dynamics-Accepted.
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| 211 | Imane Bjij, Ismail Hdoufane, Mahmoud Soliman, Menče Najdoska-Bogdanov and Driss Cherqaoui (2021), "Targeting Protein Degradation in Cancer Treatment", Current Chemical Biology-Accepted.
|
| 210 | Ali H. Rabbad, Fisayo A. Olotu and Mahmoud E. S. Soliman (2021), "Computer-aided structural and molecular insights into the mechanisms by which Pseudouridimycin (PUM) disrupts cleft extension in bacterial RNA polymerase to block DNA entry and exit", Letters in Drug Design & Discovery -Accepted.
|
| 209 | Clement Agoni and Mahmoud E. S. Soliman (2021), "The Binding of Remdesivir to SARS-CoV-2 RNA-Dependent RNA polymerase May Pave The Way Towards the Design of Potential Drugs for COVID-19 Treatment", Current Pharmaceutical Biotechnology-Accepted.
|
| 208 | Fisayo A. Olotu, Monu Joy, Mohamed A. Abdelgawad Siju E. Narayanane, Mahmoud E. Soliman and Bijo Mathew (2021), "Revealing the role of fluorine pharmacophore in chalcone scaffold for shifting the MAO-B selectivity. Investigation of a detailed molecular dynamics and quantum chemical study, Journal of Biomolecular Structure & Dynamics-Accepted.
|
| 207 | Mary Ajadi, Opeyemi Soremekun, Adeniyi T. Adewumi, Hezekiel Kumalo and Mahmoud Soliman (2021), "Leveraging on Active Site Similarities; Identification of Potential Inhibitors of Zinc-Finger and UFSP domain Protein (ZUFSP)”, Current Pharmaceutical Biotechnology-Accepted.
|
| 206 | Patrick Appiah-Kubi and Fisayo A. Olotu Mahmoud Soliman (2021), "Elucidating the Disparate Inhibitory Mechanisms of Novel 1-Heteroaryl-1,3-Propanediamine Derivatives and Maraviroc towards C-C Chemokine Receptor 5: Insights for Structural Modifications in HIV-1 Drug Discovery", Medicinal Chemistry - Accepted
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| 205 | Adeniyi T. Adewumi, Elrashedy Ahmed, Opeyemi S. Soremekun, Mary B. Ajadi and Mahmoud E. S. Soliman (2021), "Weak spots inhibition in the Mycobacterium tuberculosis antigen 85C target for Antitubercular drug design through selective irreversible covalent inhibitor-SER124", Journal of Biomolecular Structure & Dynamics-Accepted.
|
| 2020 | |
| | |
| | |
| 204 | Daniel Hassan, Calvin A. Omolo, Victoria Oluwaseun Fasiku, Ahmed A.Elrashedy, Chunderika Mocktar, Bongani Nkambule, Mahmoud E. S. Soliman,Thirumala Govender (2020), "Formulation of pH-responsive Quatsomes from Quaternary Bicephalic Surfactants and Cholesterol for Enhanced Delivery of Vancomycin against Methicillin Resistant Staphylococcus aureus", Pharmaceutics, 12(11):1093.
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| 203 | Kehinde F. Omolabi, Emmanuel A. Iwuchukwu, Paul Olalekan Odeniran, and Mahmoud E. S. Soliman (2020), "Could chroman-4-one derivative be a better inhibitor of PTR1? - Reason for the identified disparity in its inhibitory potency in Trypanosoma brucei and Leishmania major Short Title: Disparity in the potency of compound 1 in TbPTR1 and LmPTR1", Computational Biology and Chemistry-Accepted.
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| 202 | Abdullah G. Al‐Sehemi, Fisayo A. Olotu, Sanal Dev, Mehboobali Pannipara and Mahmoud E. S. Soliman, Simone Carrodori and Bijo Mathew (2020), "Natural products database screening for the discovery of naturally occurring SARS-CoV-2 spike glycoprotein blockers", ChemistrySelect-Accepted.
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| 201 | Fisayo A. Olotu, Kehinde F. Omolabi and Mahmoud E. S. Soliman (2020), "Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 Spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the receptor binding domain", Informatics in Medicine Unlocked, 21:100451.
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| 200 | Nitin G. Ghatpande, Jaganannth S. Jadhav, Rajshekhar Kaproormath, Mahmoud E. Soliman and Mahidansha M. Shaik (2020), "A brief overview on recent advances in spiro[chromane-2,4'-piperidine]-4(3H)-one-functionalized compounds in Medicinal Chemistry Research", Bioorganic and Medicinal Chemistry, 28(23):115813.
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| 199 | Kehinde F. Omolabi, Clement Agoni, Fisayo A. Olotu and Mahmoud E. S. Soliman (2020), "Molecular Basis of P131 Cryptosporidial-IMPDH Selectivity – A Structural, Dynamical and Mechanistic Stance", Cell Biochemistry and Biophysics-Accepted.
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| 198 | Opeyemi Soremekun, Chisom Ezenwa, Itunuoluwa Isewon, Omotuyi Idowu, Mahmoud Soliman, Oyekanmi Nashiru and Segun Fatumo (2020), "Computational and Drug Target Analysis of Functional Single Nucleotide Polymorphisms Associated with Hemoglobin Sub-unit Beta (HBB) Gene", Computer in Biology and Medicine, 125:104018.
|
| 197 |
Opeyemi Soremekun, Kehinde F. Omolabi, Adeniyi T. Adewumi and Mahmoud Soliman (2020),Exploring the Effect of Ritonavir on SARS-CoV-2 and SARS-CoV Main Proteases – A Potential From Molecular Perspective", Future Science OA-Accepted. |
| 196 | Depika Dwarka, Clement Agoni, John Jason Mellem, Mahmoud E. Soliman and Himansu Baijianath (2020), "Identification of potential SARS-CoV-2 inhibitors from South African medicinal plant extracts using molecular modelling approaches", South African Journal of Botany, 133:273-284.
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| 195 | Mohammed Salih, Calvin A. Omolo, Nikita Devnarain , Ahmed A Elrashedy, Chunderika Mocktar , Mahmoud E. S. Soliman and Thirumala Govender (2020), "Supramolecular Self-Assembled Drug Delivery System (SADDs) of Vancomycin and 2 Tocopherol Succinate as an Antibacterial Agent: In vitro, In silico and In vivo Evaluations", Pharmaceutical Development and Technology: 25(9):1090-1108.
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| 194 | Opeyemi Soremekun, Kehinde F. Omolabi and Mahmoud Soliman (2020), "Identification and classification of differentially expressed genes reveals potential molecular signatures associated with SARS-CoV-2 infection in lung adenocarcinoma cells", Informatics in Medicine Unlocked, 20:20200101.
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| 193 | Fisayo A. Olotu and Mahmoud E. S. Soliman (2020), "Probing the highly disparate dual inhibitory mechanisms of novel quinazoline derivatives against Mycobacterium tuberculosis Protein kinases A and B", Molecules, 25(18):4247.
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| 192 | Ransford Kumi Oduro, Clement Agoni, Abdul Rashid Issahaku, Olotu Fisayo and Mahmoud Soliman (2020) "‘Polymorphism-Aided’ Selective Targeting And Inhibition of Caspase-6 By a Novel Allosteric Inhibitor Towards Efficient Alzheimer’s Disease Treatment" Therapy", Cell Biochemistry and Biophysics,78(3):291-299.
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| 191 | Adeniyi T. Adewumi, Opeyemi S. Soremekun , Mary B. Ajadi, Mahmoud E. S. Soliman (2020), "Thompson Loop: Opportunities for Antitubercular drug design by Targeting the
Weak Spot in Demethylmenaquinone Methyltransferase protein", RSC Advances, 10:23466-23483.
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| 190 | Daniel Segun Oladipo, Fisayo A. Olotu, Mahmoud Soliman, Bernard Owaga (2020), "Formamidine-based thiuram disulfides: synthesis, structural characterization, biological studies, and preliminary cheminformatics evaluation", Journal of Molecular Structure, 1219:128553.
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| 189 | Fisayo A. Olotu, Clement Agoni, Opeyemi Soremekun and Mahmoud E.S. Soliman (2020), "An update on the pharmacological usage of curcumin: has it failed in the drug discovery pipeline?", Cell Biochemistry and Biophysics, 78(3):267-289.
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| 188 | Fisayo A. Olotu, Clement Agoni, Opeyemi Soremekun and Mahmoud E.S. Soliman (2020), "The recent application of 3D-QSAR and docking studies to novel HIV-protease inhibitor drug discovery", Expert Opinion On Drug Discovery, 15(9):1095-1109.
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| 187 | Iwuchukwu A. Emmanuel, Clement Agoni, Fisayo A. Olotu, Mahmoud E. S. Soliman (2020), "In Silico Repurposing of J147 For Neonatal Encephalopathy Treatment: Exploring Molecular Mechanisms of Mutant Mitochondrial ATP Synthase", Current Pharmaceutical Biotechnology-Accepted.
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| 186 | Umar Ndagi, Abubakar Falaki, Maryam Abdullahi, Monsurat M. Lawal and Mahmoud E. S. Soliman (2020), "Antibiotic resistance:bioinformatics-based understanding as a functional strategy for drug design", RSC Advances, 10:18451-18468.
Antibiotic resistance: bioinformatics-based understanding as a functional strategy for drug design Antibiotic resistance: bioinformatics-based understanding as a functional strategy for drug design |
| 185 | Houda N. Washah, Elliasu Yakubu Salifu, Opeyemi Soremekun, Ahmed A. Elrashedy, Geraldene Munsamy, Fisayo Olotu and Mahmoud Soliman (2020), "Integrating bioinformatics strategies in cancer immunotherapy: current and future perspetives", Combinatorial Chemistry & High Throughput Screening-Accepted.
|
| 184 | John Oludele Olanlokun, Fisayo A. Olotu and Oyebode Thomas Idowu, Clement Agoni, Moses Oluwole, Mahmoud Soliman and Olufunso Olabode Olorunsogu (2020), "In vitro, in silico studies of newly isolated tetrahydo-4-hydroxy-10-methoxy-6, 14-dimethyl-15-m-tolypentadec-13-enyl) pyran-2-one and isobutyryl acetate compounds from Alstonia boonei stem bark", Journal of Molecular Structure, 1216:128225.
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| 183 | Aimen Aljoundi, Ahmed Elrashedy, Patrick Appiah-Kubi and Mahmoud (2020), "Coupling α-helix of HSP72 subdomains by unexpectedly irreversibly targeting Lysin56 instead of Cystine17; coevolution of the covalent bond", Molecules, 25(18):4239.
|
| 182 | Clement Agoni, Fisayo A. Olotu, Pritika Ramharack and Mahmoud Soliman (2020),"Druggability and Drug-likeness Concepts in Drug Design- are Biomodelling
and Predictive Tools having their say?" Journal of Molecular Modeling, 26(6):120.
|
| 181 | Adeniyi T. Adewumi, Pritika Ramharack, Opeyemi Soremekun and Mahmoud Soliman (2020), "Delving into the Characteristic Features of “Menace” Mycobacterium tuberculosis Homologs: A Structural Dynamics and Proteomics Perspectives", The Protein Journal, 39(2):118-132.
|
| 180 | Oluwayimika E. Akinsuku, Opeyemi Soremekun, Fisayo A. Olotu and Mahmoud Soliman (2020), "Tapping on the crucial role of Asp1116 in selective Drug targeting of CREB-cAMP- responsive element-binding protein Implicated in Prostate Cancer", Combinatorial Chemistry & High Throughput Screening, 23(3):178-184.
|
| 179 | Clement Agoni, Pritika Ramharack, Elliasu Y. Salifu and Mahmoud Soliman (2020), "The Dual-Targeting Activity Of The Metabolite Substrate Of Para-Amino Salicyclic Acid In The Mycobacterial Folate Pathway: Atomistic And Structural Perspectives" The Protein Journal, 39:pages106–117.
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| 178 | Aimen K. Aljoundi, Imane Bjij, Ahmed El Rashedy , Mahmoud Soliman (2020), "Covalent versus Non-covalent Enzyme Inhibition: Which Route should we take? A Justification of the Good and Bad from Molecular Modelling perspective?" The Protein Journal, 39:pages97–105.
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| 177 | Abdul Rashid Issahaku, Clement Agoni, Ransford Kumi, Olotu Fisayo and Mahmoud Soliman (2020),"Lipid-embedded molecular dynamics simulation model for exploring the reverse Prostaglandin D2 Agonism of CT-133 towards CRTh2 in the Treatment of Type-2 Inflammation Dependent Diseases", Chemistry and Biodiversity, 17(3):e1900548.
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| 176 | Fisayo A. Olotu and Mahmoud E. S. Soliman (2020), "Immunoinformatics prediction of potential B-cell and T-celll epitopes as effective vaccine candidates for eliciting immunogenic responses against Epstein-Barr virus", Biomedical Journal-Accepted.
|
| 175 | Elliasu Y. Salifu, Clement Agoni, Fisayo A. Olotu, Mahmoud E. S. Soliman (2020),"Triple Mycobacterial ATP-synthase mutations impedes Bedaquiline binding: Atomistic and structural perspectives",Computational Biology and Chemistry, 85:107204.
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| 174 | Ransford Kumi Oduro, Opeyemi Soremekun Abdul Rashid Issahaku, Clement Agoni, Olotu Fisayo and Mahmoud Soliman (2020) "Exploring the Rings Potential of 2, 4-Diaminopyrimidine Derivatives Towards the Identification of Novel Caspase-1 Inhibitors in Alzheimer’s Disease Therapy", Journal of Molecular Modeling, 26(4):68.
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| 173 | Umar Ndagi, Maryam Abdullahi, Asmau N. Hamza and Mahmoud E. S. Soliman (2020), "An analogue of a kinase inhibitor exhibits subjective characteristics that contribute to its inhibitory activities as a potential anti-cancer candidate: insights through computational biomolecular modelling of UM-164 binding with lyn protein", RSC Advances, 10:145-161.
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| 172 | Clement Agoni, Pritika Ramharack, Geraldene Munsamy and Mahmoud Soliman (2020), "Human Rhinovirus Inhibition through Capsid “Canyon” Perturbation: Structural Insights into the Role of a Novel Benzothiophene Derivative", Cell Biochemistry and Biophysics, 78, pages3–13.
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| 171 | Houda Washah, Clement Agoni, Fisayo A. Olotu, Geraldene Munsamy, and Mahmoud E. S. Soliman (2020), "Tweaking α-galactoceramides: Probing the dynamical mechanisms of improved recognition for invariant natural killer T-cell receptor in cancer immunotherapeutics", Current Pharmaceutical Biotechnology-Accepted.
|
| 2019 | |
| | |
| 170 | Clement Agoni, Elliasu Y. Salifu, Geraldene Munsamy, Fisayo A. Olotu, Mahmoud Soliman (2019), "CF3-pyridinyl substitution on anti-malarial therapeutics: Probing differential ligand binding and dynamical inhibitory effects of a novel triazolopyrimidine-based inhibitor on Plasmodium falciparum Dihydroorotate dehydrogenase", Chemistry and Biodiversity- Accepted. (Link)
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| 169 | Ransford Kumi Oduro, Abdul Rashid Issahaku, Opeyemi Soremekun, Clement Agoni, Olotu Fisayo and Mahmoud Soliman (2019), "From the Explored to the Unexplored:Computer-Tailored Drug Design Attempts in the Discovery of Selective Caspases Inhibitors", Combinatorial Chemistry & High Throughput Screening-Accepted.(Link)
|
| 168 | Geraldene Musamy and Mahmoud Soliman (2019), "Unveiling a new era in Malaria therapeutics: A tailored molecular approach towards the
design of Plasmepsin IX inhibitors", The Protein Journal- Accepted. (Link)
|
| 167 | Lanlan Jing, Goachan Wu, Xia Hao, Fisayo A. Olotu, Dongwei Kang, Chin Ho Chen, Kuo-Hsiung Lee, Mahmoud E. S. Soliman, Xinyong Liu, Yuning Song and Peng Zhan (2019), "Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry based combinatorial libraries", European Journal of Medicinal Chemistry-Accepted.(Link)
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| 165 | Abdul Rashid Issahaku, Clement Agoni, Opeyemi Soremekun, Patrick Appiah Kubi, Ransford Kumi, Olotu Fisayo and Mahmoud Soliman (2019), "Same Target, Different Therapeutic Outcome: The Case of CAY10471 and Fevipiprant on CRTh2 Receptor in Treatment of Allergic Rhinitis and Asthma", Combinatorial Chemistry & High Throughput Screening-Accepted. (Link)
|
| 164 | Farideh Badichi Akher, Abdolkarim Farrokhedeh, Pritika Ramharack, Letitia Shunmugam Fanie R. Van Heerden and Mahmoud Soliman (2019), "Discovery of Novel Natural Flavonoids as Potent Antiviral Candidates against Hepatitis C Virus NS5B Polymerase", Medical Hypothesis, 132:109359(Link)
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| 163 | Xylia Q. Peters, Thembeka H. Malinga, Clement Agoni, Olotu Fisayo, Mahmoud Soliman (2019), "Zoning in on Tankyrases: A brief review on the past, present and prospective studies", Anti-Cancer Agents in Medicinal Chemistry- Accepted.(Link)
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| 162 | Patrick Appiah-Kubi and Fisayo A. Olotu Mahmoud Soliman (2019), "Probing binding landscapes and molecular recognition mechanisms of atypical antipsychotic drugs towards the selective targeting of D₂ dopamine receptor", Molecular Informatics, 38:1900044. (Link)
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| 161 | Opeyemi Soremekun and Mahmoud Soliman (2019), "From Genomic Variation to Protein Aberration: Mutational Analysis of Single Nucleotide Polymorphism present in ULBP6 gene and Implication in Immune Response" Computers in Biology and Medicine,111:103354 (Link)
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| 160 | Shama Khan, Imane Bjij and Mahmoud Soliman, "Selective Covalent Inhibition of “Allosteric Cys121” Distort the Binding of PTP1B Enzyme: A Novel Therapeutic Approach for Cancer Treatment", Cell Biochemistry and Biophysics,77(3):2013-211.(Link)
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| 159 | Pritika Ramharack, Nikita Devnarain, Letitia Shunmugam and Mahmoud Soliman, "Navigating Research Toward the Re-emerging Nipah Virus- A New Piece to the Puzzle", Current Pharmaceutical Design, 25(12):1392-1401.(Link)
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| 158 | Imane Bjij, Pritika Ramharack, Shama Khan, Driss Cherqaoui and Mahmoud Soliman, "Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase Through Target focused Modelling", Molecules,24(17): 3125.(Link)
|
| 157 | Abdolkarim Farrokhedeh, Farideh Badichi Akher, Fisayo A. Olotu, Mahmoud Soliman and Fanie R. Van Heerden (2019), "Revealing the distinct mechanistic binding and activity of 5-(1-(3,5-Dichloropyridin-4-yl)ethoxy)-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole enantiomers against FGFR1", Physical Chemistry and Chemical Physics-Accepted, 2019, 21, 15120 - 15132. (Link)
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| 156 | Iwuchukwu A. Emmanuel, Fisayo A. Olotu, Clement Agoni, Mahmoud E. S. Soliman (2019), "Broadening the horizon: Integrative pharmacophore-based and cheminformatics screening of novel chemical modulators of mitochondria ATP synthase towards interventive Alzheimer’s disease therapy", Medical Hypothesis, 130:109277(Link)
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| 155 | Ahmed A. Elrashedy, Pritika Ramharack and Mahmoud Soliman (2019), " The Perplexity of Synergistic Duality: Inter-Molecular Mechanisms of Communication in BCR-ABL1", Anti-Cancer Agents in Medicinal Chemistry- Accepted.(Link)
|
| 154 | Opeyemi Soremekun, Fisayo A. Olotu, Clement Agoni and Mahmoud Soliman (2019), "Drug Promiscuity: Exploring the Polypharmacology Potential of 1, 3, 6-trisubstituted 1, 4-diazepane-7-ones as an Inhibitor of the ‘god father’ of Immune Checkpoint", Computational Biology and Chemistry,80:433-440 (Link)
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| 153 | Umar Ndagi, Monsurat M. Lawal, and Mahmoud E. Soliman (2019), "DFT study of the structural and electronic properties of selected organogold(III) compounds with characteristic anticancer activity", Russian Journal of Physical Chemistry A, 93(8):1543–1558.
DFT Study of the Structural and Electronic Properties of Selected Organogold(III) Compounds with Characteristic Anticancer Activity DFT Study of the Structural and Electronic Properties of Selected Organogold(III) Compounds with Characteristic Anticancer Activity DFT Study of the Structural and Electronic Properties of Selected Organogold(III) Compounds with Characteristic Anticancer Activity DFT Study of the Structural and Electronic Properties of Selected Organogold(III) Compounds with Characteristic Anticancer Activity DFT Study of the Structural and Electronic Properties of Selected Organogold(III) Compounds with Characteristic Anticancer Activity DFT Study of the Structural and Electronic Properties of Selected Organogold(III) Compounds with Characteristic Anticancer Activity |
| 152 | Elliasu Y. Salifu, Clement Agoni, Fisayo A. Olotu, Yussif M. Dokurugu, Mahmoud E. S. Soliman (2019), "Deciphering the canonical blockade of activated Hageman Factor (FXIIa) by Benzamidine in the coagulation cascade: A thorough dynamical perspective". Chemical Biology and Drug Design, 94:1905–1918. (Link)
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| 151 | Iwuchukwu A. Emmanuel,
Fisayo A. Olotu, Clement Agoni, Mahmoud E. S. Soliman (2019), "Deciphering the “elixir of life”: Dynamic perspectives into the allosteric modulation of mitochondrial ATP synthase by J147, a novel drug in the treatment of Alzheimer’s disease". Chemistry and Biodiversity,16(6):e1900085. (Link)
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| 150 | Aimen K. Aljoundi, Clement Agoni, Olotu Fisayo, Mahmoud Soliman (2019), Turning to Computer-Aided Drug Design in the treatment of Diffuse Large B-cell Lymphoma: Has it been helpful? Anti-Cancer Agents in Medicinal Chemistry- Accepted (Link)
|
| 149 | Aljoundi AK, Agoni C, Olotu FA, Soliman ES (2019), 'Piperazining’ the catalytic gatekeepers: Unraveling the pan-inhibition of SRC kinases; LYN, FYN, and BLK by Masitinib. Future Medicinal Chemistry,11(18):2365-2380. (Link)
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| 148 | Elliasu Y. Salifu, Clement Agoni, Fisayo A. Olotu, Yussif M. Dokurugu, Mahmoud E. S. Soliman (2019), Halting ionic shuttle to disrupt the synthetic machinery – Structural and molecular insights
into the inhibitory roles of Bedaquiline towards Mycobacterium tuberculosis ATP synthase
in the treatment of tuberculosis. Journal Cellular Biochemistry,120(9):16108-16119.(Link)
|
| 147 | Opeyemi Soremekun, Olotu Fisayo, Clement Agoni and Mahmoud Soliman (2019), Recruiting monomer for dimer formation: Resolving the antagonistic mechanisms of novel immune checkpoint inhibitors against Programmed Death Ligand-1 in cancer immunotherapy. Molecular Simulation,45(10):777-789 (Link)
|
| 146 | Ahmed A. Elrashedy, Patrick Appiah-Kubi and Mahmoud Soliman (2019), A Synergistic Combination against Chronic Myeloid Leukemia: An Intra-Molecular Mechanism of Communication in BCR-ABL1 Resistance. The Protein Journal, 38(2):142-150.(Link)
|
| 145 | Adeniji Emmanuel, Olotu Fisayo, Shunmugam Letitia and Mahmoud Soliman (2019), From a computational point of view: Deciphering the molecular synergism between oxidative stress-induced lipid peroxidation products and metabolic dysfunctionality of human liver mitochondrial aldehyde dehydrogenase-2. Molecular Simulation, 45(8):652-665.(Link)
|
144
| Imane Bjij, Shama Khan, Pritika Ramharack, Driss Cherqaoui and Mahmoud Soliman(2019), Distinguishing the Optimal Binding Mechanism of an E3 Ubiquitin ligase: Covalent Versus Non-Covalent Inhibition. Journal of Cellular Biochemistry,120(8):12859-12869.(Link) |
| 143 | Farideh Badichi Akher, Abdolkarim Farrokhedeh, Fisayo Olotu, Clement Agoni and Mahmoud Soliman (2019), The Irony of Chirality- Unveiling the distinct mechanistic binding and activities of 1-(3-(4-Amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-7H-pyrrolo[2,3-d)pyrimidin-7-yl)pyrrolidin-1-yl)prop-2-en-1-one enantiomers as irreversible covalent FGFR4. Organic and Biomolecular Chemistry- 17, 1176 - 1190. (Link)
|
| 142 | Nikita Devnarain and Mahmoud Soliman (2019), Molecular Mechanism of Resveratrol Inhibition of Zika Virus NS3 Helicase-Behind the Scenes. Future Virology, 14(2):73-84(Link)
|
| 141 | Farideh Badichi Akher, Abdolkarim Farrokhedeh and Mahmoud Soliman (2019), Noteworthy Effect of Slight Variation in Aliphatic Chain Length of Trisubtituted Imidazole Ihibitors Against EGFR L858R/T790M/C797S Mutant in Cancer Therapy. Chemical Biology and Drug Design, 93(5):798-810.(Link)
|
| 140 | Farideh Badichi Akher, Abdolkarim Farrokhedah and Mahmoud Soliman (2019), Covalent Vs Non-covalent Inhibition: Tackling Drug Resistance in EGFR- A Thorough Dynamic Perspective. Chemistry and Biodiversity, 16(3):e1800518. (Link)
|
| 139 | Fisayo A. Olotu, Munsamy Geraldene and Mahmoud Soliman (2019), Does size really matter? Probing the efficacy of structural reduction in the optimization of bioderived compounds: a computational "proof-of -concept". Computational and Structural Biotechnology Journal,16:573-586.(Link)
|
| 138 | Abdolkarim Farrokhzadeh, Farideh Badichi Akher and Mahmoud E. S. Soliman (2019), Probing dynamic mechanism of uncommon allosteric inhibitors optimized to enhance drug selectivity of SHP2 with therapeutic potential for cancer treatment. Applied Biochemistry and Biotechnology, 188(1):260-28.(Link)
|
| 137 | Stalielson Tatenda Ndlovu , Naseem Ullah, Shahzeb Khan, Pritika Ramharack , Mahmoud Soliman, Marcel de Matas, Muhammad Shahid, Muhammad Sohail, Muhammad Imran, Syed Wadood Ali Shah, Zahid Hussain (2019). Domperidone Nanocrystals with Boosted Oral Bioavailability: Fabrication, Evaluation and Molecular Insight into the Polymer-Domperidone Interaction. Drug Delivery and Translational Research, 9(1):284-297. (Link)
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| 136 | Geraldene Munsamy, Clement Agoni and Mahmoud Soliman (2019) A Dual-Target of Plasmepsin IX and X: Unveiling the atomistic superiority of a core chemical scaffold in Malaria therapy, Journal of Cellular Biochemistry, 120(5):7876-7887. (Link)
|
| 135 | Fisayo A. Olotu, Clement Agoni, Emmanuel A. Adeniji, Maryam Abdullahi and Mahmoud E.S. Soliman (2019) Probing gallate-mediated selectivity and high-affinity binding of Epigallocatechin gallate: A way-forward in the design of selective inhibitors for anti-apoptotic Bcl-2 proteins, Applied Biochemistry and Biotechnology, 187(3):1061-1080. (Link)
|
| 134 | Emmanuel Adefemi Adeniji, Fisayo Olotu and Soliman MES (2019) Exploring the lapse in druggability: Sequence Analysis, Structural Dynamics and binding site characterization of K-RasG12C variant, a feasible oncotherapeutics target, Anti-Cancer Agents in Medicinal Chemistry,18(11):1540-1550.(Link)
|
| 133 | Ali Rabbad, C. Agoni, A. Olotu and Soliman M. E (2019), Microbes, not humans: Exploring the molecular basis of Pseudouridimycin selectivity towards bacterial and not human RNA polymerase, Biotechnology Letters,41(1):115-128.(Link)
|
| 132 | Ayman Waddad, Pritika Ramharack, Mahmoud Soliman and Thirumala Govender (2019), Grafted hyaluronic acid N-acetyl-L-methionine for targeting of LAT1 Receptor: In-silico, Synthesis and Microscale Thermophoresis Studies. International Journal of Biological Macromolecules, 125:767-777 (Link) |
| | |
| 131 | Fisayo Andrew Olotu, Olanlokun John Oludele and Soliman M.E (2019) A novel compound purified from Alstonia boonei inhibits Plasmodium falciparum Lactate dehydrogenase and Plasmepsin II, Journal of Biomolecular Structure & Dynamics, 37( 8):2193-2200.(Link)
|
| 2018 | |
|
|
| 130 | Letitia Shunmugam and Mahmoud Soliman (2018), Targeting HCV Polymerase: A Structural and Dynamic Perspective into the Mechanism of Selective Covalent Inhibition. RSC Advances, 8:42210-42222.(Link)
|
| 129 | Clement Agoni, Pritika Ramharack and Mahmoud Soliman (2018), Allosteric Inhibition Induces an Open WPD-Loop: A New Avenue Towards Glioblastoma Therapy. RSC Advances, 8:40187-40197. (Link)
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| 128 | Maryam Lawal, Fisayo A. Olotu, Clement Agoni and Mahmoud Soliman (2018)Exploring the C-terminal tail dynamics: Structural and molecular perspectives into the therapeutic activities of novel CRMP-2 inhibitors, Naringenin and Naringenin-7-O- glucuronide, in the treatment of Alzheimer’s disease, Chemistry and Biodiversity-15(12):e1800437.
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| 127 | Imane Bjij, Shama Khan, Robin Betz, Driss Cherqaoui and Mahmoud Soliman (2018) Exploring the Structural Mechanism of Covalently Bound E3 Ubiquitin Ligase: Catalytic or Allosteric Inhibition?, The Protein Journal, 37(6):500-509.
|
| 126 | Fisayo A. Olotu, Emmanuel A. Adeniji, Shama Khan, Imane Bjij, Clement Agoni , Ahmed Elrashedy and Mahmoud E.S. Soliman (2018) An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy, Expert Opinion On Drug Discovery, 13(10):903-918.
|
| 125 | Fisayo A. Olotu and Soliman M.E (2018) Dynamic perspectives into the mechanisms of mutation-induced p53-DNA binding loss and inactivation using active perturbation theory: Structural and molecular insights toward the design of potent re-activators in cancer therapy, Journal of Cellular Biochemistry, 120(1):951-966.
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| 124 | Clement Agoni, Pritika Ramharack and Soliman M. E. (2018) Synergistic Interplay of The Co-administration of Rifampin And Newly Developed Anti-TB Drug: Could It Be a Promising New Line of TB Therapy?, Combinatorial Chemistry & High Throughput Screening, 21(6)453-460.
|
| 123 | Shama Khan, Imane Bjij, Emmanuel A. Adeniji, Fisayo Olotu, Clement Agoni and Mahmoud E.S. Soliman (2018) Covalent Simulations of Covalent/Irreversible Enzyme Inhibition in Drug Discovery – A Reliable Technical Protocol, Future Medicinal Chemistry - 10(19):2265-2275.
|
| 122 | Eugene Kgothatso Machaba and Soliman M E (2018) Induced mutation proves a potential target for TB therapy: A Molecular Dynamics Study on LprG, Cell Biochemistry and Biophysics, 76(3):345-356.
|
| 121 | Maryam Abdullahi, Fisayo Andrew Olotu and Soliman M.E. (2018) Solving the riddle: Unraveling the mechanisms of blocking the binding of leukotoxin by therapeutic antagonists in periodontal diseases, Journal of Cellular Biochemistry ,119(11):9364-9379.
|
| 120 | Imane Bjij, Fisayo A. Olotu, Clement Agoni, Emmanuel Adeniji, Shama Khan, Ahmed El Rashedy, and Mahmoud E.S. Soliman (2018) Covalent Inhibition in Drug Discovery: Filling the Void in Literature, Current Topics in Medicinal Chemistry,18(13):1135-1145.
|
| 119 | Geraldene Munsamy, Pritika Ramharack and Soliman M. E. (2018) Egress and Invasion Machinery of Malaria: An In-depth Look into The Structural and Functional Features of The Flap Dynamics of Plasmepsin IX and X, RSC Advances, 8:21829-21840.
|
| 118 | Noma Belle, Pritika Ramharack and Soliman MES (2018) Using bioinformatics tools for the discovery of Dengue RNA-dependent RNA polymerase inhibitors, PeerJ, 6:e5068.
|
| 117 | Pritika Ramharack and Soliman M. E. (2018) Bioinformatics-Based Tools in Drug Discovery: The Cartography from Single Gene to Integrative Biological Networks, Drug Discovery Today (IF = 6.4), 23(9):1658-1665.
|
| 116 | Nikita Devnarain and Soliman MES (2018) A Panoptic Uncovering of the Dynamical Evolution of the Zika Virus NS5 Methyltransferase Binding Site Loops– Zeroing in on the Molecular Landscape, Chemical Biology and Drug Design, 92(5):1838-1850.
|
| 115 | Maryam Lawal; Fisayo Olotu and Mahmoud Soliman (2018) Across the blood-brain barrier: Neurotherapeutic screening and characterization of Naringenin as a novel CRMP-2 inhibitor in the treatment of Alzheimer's disease using bioinformatics and computational tools, Computers in Biology and Medicine, 98:168-177.
|
| 114 | Adeniji Emmanuel Adefemi, Fisayo Andrew Olotu and Soliman M.E. (2018) Alcohol metabolic inefficiency: Structural characterization of polymorphism-induced ALDH2 dysfunctionality and allosteric site identification for design of potential wildtype reactivators, The Protein Journal, 37(3):216-222.
|
| 113 | Clement Agoni, Pritika Ramharack and Soliman M. E. (2018) Co-inhibition as a Strategic Therapeutic Approach to Overcome Rifampin Resistance in TB Therapy: Atomistic Insights, Future Medicinal Chemistry, 10(14):1665-1675).
|
| 112 | Shama Khan, Imane Bjij, Robin Betz and Soliman MES (2018) Reversible Vs Irreversible Inhibition Modes of ERK2: A Comparative Analysis for ERK2 Protein Kinase in Cancer Therapy, Future Medicinal Chemistry,10(9):1003-1015.
|
111
| Maryam Abdullahi, Fisayo Andrew
Olotu and Soliman M.E. (2018) Allosteric inhibition abrogates
dysregulated LFA-1 activation: Structural insight into mechanisms of
diminished immunologic disease, Computational Biology and Chemistry, 73:49-56.
|
| 110 | Noma Belle, Pritika Ramharack and Soliman MES (2018) All-In-One” Pharmacophoric Architecture for the Discovery of Potential Broad-Spectrum Anti-Flavivirus Drugs, Applied Biochemistry and Biotechnology. 185(3):799-814. |
| 109 | Ahmed A. Elrashedy, Fisayo Olotu and Mahmoud Soliman (2018) Dual drug targeting of mutant Bcr-Abl induces inactive conformation: New strategy for the treatment of chronic myeloid leukemia and overcoming monotherapy resistance, Chemistry and Biodiversity. 15(3):e1700533 |
| 108 | Monu Joy, Ahmed A. Elrashedy, Bijo Mathew, Ashona Singh Pillay, Annie Mathews, Sanal Dev, Mahmoud E.S. Soliman, C. Sudarsanakumar (2018) Discovery of new class of methoxy carrying isoxazole derivatives as COX-II inhibitors: Investigation of a detailed molecular dynamics study, Journal of Molecular Structure, 1157, 19-28. |
107 | Umar Ndagi and Soliman MES (2017) Emergence of a
Promising Lead Compound in the Treatment of Triple Negative Breast
Cancer: An Insight into Conformational Features and Ligand Binding
Landscape of c-Src Protein with UM-164, Applied Biochemistry and
Biotechnology. 185(3):655-675. DOI: 10.1007/s12010-017-2677-z |
106 | Ndumiso Buthelezi, Eugene Kgothatso Machaba and
Soliman M E (2017) The Identification of Potential Human Rhinovirus
Inhibitors: A rational drug design through PRED-Pharmacophore Modeling,
Future Virology, 12(12):747-759.
|
105 | Funanani Takalani, Suri Moonsamy, Mhlongo Ndumiso
and Soliman MES (2017) Review on the biological mechanisms associated
with Depo-Provera and HIV-1 risk acquisition in women, Cell Biochemistry
and Biophysics. 7(1-2):73-82 DOI:10.1007/s12013-017-0806-5.
|
| 104 | Pritika Ramharack and Soliman M E (2017) Zika Virus
NS5 Protein Potential Inhibitors: An Enhanced In silico Approach in
Drug Discovery, Journal of Biomolecular Structure & Dynamics, 36(5):1118-1133. |
| | |
| 2017 | |
| | |
103
| Bijo Mathew, Gu¨ lberk Uc¸ar,Clariya Rapheal, Githa E. Mathew, Monu Joy,Kgothatso E. Machaba and Mahmoud E. S. Soliman (2017) Characterization of Thienylchalcones as hMAO-B Inhibitors:Synthesis, Biochemistry and Molecular Dynamics Studies, ChemistrySelect, 2(34):11113-11119. DOI: 10.1002/slct.201702141
|
| 102 | Fisayo Olotu and Mahmoud Soliman (2017) From mutational inactivation to aberrant gain-of-function: unraveling the structural basis of mutant p53 oncogenic transition, Journal of Cellular Biochemistry,119(3):2646-2652.
|
| 101 | Nikita Devnarain, Pritika Ramharack and Soliman MES (2017) Brain Grants Permission of Access to Zika Virus but Denies Entry to Drugs: A Molecular Modeling Perspective to Infiltrate the Boundary, RSC Advances, 7, 47416-47424.
|
| 100 | Ahmed Elrashedy, Mahmoud Soliman et al (2017) Novel Quinazolinone-based 2,4-Thiazolidinedione-3-acetic acid Derivatives as Potent Aldose Reductase Inhibitors, Future Medicinal Chemistry,9(18):2147-2166.
|
| 99 | Ahmed Elrashedy, Mahmoud Soliman et al (2017) Quinazolinone-based rhodanine-3-acetic acids as potent aldose reductase inhibitors: synthesis, functional evaluation and molecular modeling study, Bioorganic & Medicinal Chemistry Letters,27(20):4760-4764.
|
| 98 | Maryam Abdullahi, Fisayo Andrew Olotu and Soliman M.E. (2017) Dynamics of allosteric modulation of Lymphocyte Function Associated Antigen-1 closure-open switch: Unveiling the structural mechanisms associated with outside-in signaling activation, Biotechnology Letters,39(12):1843-1851.
|
| 97 | Olayide A. and Soliman M.E. (2017) Hybrid 2D/3D-QSAR and modelling Studies perspectives of Pepstatin A Analogues as Cathepsin D Inhibitors, Future Medicinal Chemistry,10(1):5-26.
|
| 96 | Letitia Shunmugam and Mahmoud Soliman (2017) Road Map For The Structure-Based Design of Selective Covalent HCV NS3/4A Protease Inhibitors, The Protein Journal,35(5):397-406.
|
| 95 | McGillewie L, Ramesh M and Soliman M.E. (2017) Sequence, Structural Analysis and Metrics to Define the Unique Dynamic Features of the Flap Regions Among Aspartic Protease, The Protein Journal, 36(5):385-396.
|
| 94 | Adebayo A. Adeniyi and Mahmoud E Soliman (2017) Implementing QM in docking calculations: Any good or just waste of computational time, Drug Discovery Today,22(8):216-1223. (IF=6.3)
|
| 93 | Payal Narang, Suresh B Vepuri and Mahmoud E Soliman (2017) An unexplored remarkable PNIPAM-osmolyte interaction study: An integrated experimental and simulation approach, Journal of Colloid & Interface Science,504, 427-428.
|
| 92 | Reddicherla Umapathi, Suresh B Vepuri, Pannuru Venkatesu, and Mahmoud E. S. Soliman (2017) Comprehensive Computational and Experimental Analysis of Biomaterial Towards the Behavior of Imidazolium-Based Ionic Liquids: An Interplay Between Hydrophilic and Hydrophobic Interactions, Journal of Physical Chemistry B, 121(18):4909-4922.
|
| 91 | Eugene Kgothatso Machaba and Soliman M E (2018), Tailored-pharmacophore Model to Enhance Virtual Screening and Drug Discovery, Future Medicinal Chemistry, 9(10):1055-1071.
|
| 90 | Pritika Ramharack, Sofiat Oguntade and Soliman M. E. (2017) Delving into Zika Virus Structural Dynamics- A Closer look at NS3 Helicase Loop flexibility and its Role in Drug Discovery, RSC Advances, 7, 22133-22144.
|
| 89 | Sofiat Oguntade, Pritika Ramharack and Soliman M. E. (2017) Characterizing the Ligand Binding Landscape of Zika NS3 Helicase- Promising Lead Compounds as Potential Inhibitors, Future Virology, 12(6):261-273.
|
| 88 | Umar Ndagi, Ndumiso Mhlongo and Soliman M E (2017) The impact of Thr91 mutation on c-Src resistance to UM-164: Molecular dynamics study revealed new opportunity for drug design, Molecular Biosystems, 13, 1157-1171.
|
| 87 | Ramesh M, Yussif M. Dokurugu, Michael D. Thompson and Soliman M E (2017) Therapeutic, molecular and computational aspects of novel monoamine oxidase (MAO) inhibitors, Combinatorial Chemistry & High Throughput Screening, 20(6):492-509.
|
| 86 | Marissa Balmith and Soliman M E (2017) Potential Ebola Drug Targets - Filling The Gap: A Critical Step Forward Towards The Design And Discovery of Potential Drugs, Biologia C,72(1):1-13. |
| 85 | Marissa Balmith and Soliman M E (2017) Non-active site mutations disturb the loop dynamics, dimerization, viral budding and egress of VP40 of the Ebola virus, Molecular Biosystems, 13, 585-597. |
| 84 | Marissa Balmith and Soliman M E (2017) VP40 of the Ebola virus as a target for EboV therapy: Comprehensive conformational and inhibitor binding landscape from accelerated molecular dynamics, Cell Biochemistry and Biophysics, 2017, 7(1):75-78. |
| 83 | Mathew, Bijo; Adeniyi, Adebayo; Dev, Sanal; Joy, Monu; Ucar, Gulberk ; Mathew, Githa; Pillay, Ashona; Soliman, Mahmoud (2017) Pharmacophore Based 3D-QSAR Analysis of Thienyl Chalcones as a New Class of Human MAO-B Inhibitors. Investigation of Combined Quantum Chemical and Molecular Dynamics Approach, Journal of Physical Chemistry B, 121(6):1186-1203
|
| 82 | Geraldene Munsamy and Soliman M. E. (2017) Homology Modeling in Drug Discovery - An update on the last decade, Letters in Drug Design & Discovery, 14(9):1099-111.
|
| 81 | Olayide A. and Soliman M.E. (2017) Quantum mechanics implementation in drug design workflows: Does it really help?, Drug Design, Development and Therapy,11, 2551-2564
|
| 80 | Ramesh M, Ashona Singh, Sarentha Chetty and Soliman M E (2017) Recent Advancements in the Development of Anti-Tuberculosis Drugs, Bioorganic & Medicinal Chemistry Letters, 27(3):370-386.
|
| 79 | Umar Ndagi, Ndumiso Mhlongo and Soliman M E (2017) Metal Complexes in Cancer Therapy – an update from Drug Design Perspective, Drug Design, Development and Therapy,11,599-616.
|
| 78 | Umar Ndagi, Ndumiso Mhlongo and Soliman M E (2017) Re-emergence of an Orphan Therapeutic Target for the Treatment of Resistant Prostate Cancer – A thorough Conformational and Binding Analysis for ROR-γ Protein, Journal of Biomolecular Structure & Dynamics, 2017, 1-40.
|
| 77 | Suri Moonsamy, Bhakat S, Ramesh M and Soliman M E (2017) Identification of binding mode and prospective structural features of novel Nef protein inhibitors as potential anti-HIV drugs, Cell Biochemistry and Biophysics, 2016, 1-16.
|
| 76 | Patrick Appiah-Kubi and Soliman M.E (2017) Hybrid Receptor-Bound/MM-GBSA-Per-residue Energy-Based Pharmacophore Modelling: Enhanced Approach for Identification of Selective LTA4H Inhibitors as Potential Anti-inflammatory Drugs, Cell Biochemistry and Biophysics, 2016, 1-14.
|
| 75 | Broomhead N. and Soliman M E (2017) Can We Rely on Computational Predictions To Correctly Identify Ligand Binding Sites on Novel Protein Drug Targets? Assessment of Binding Site Prediction Methods and a Protocol for Validation of Predicted Binding Sites, Cell Biochemistry and Biophysics, 2017, 1-9.
|
| 74 | Marissa Balmith, Mbuso Faya and Soliman M E (2017) Ebola virus: A gap in drug design and discovery - experimental and computational perspective, Chemical Biology & Drug Design, 2017, 1-13.
|
73
| Emiliene Berinyuy and Soliman M. E. (2017) Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per Residue Energy Contribution-Based Pharmacophore modelling, Interdisciplinary Sciences: Computational Life Sciences, 2017, 1-13.
|
| 72 | Md Ataul Islam, Sagar Bhayye, Adebayo A. Adeniyi, Soliman ME, Pillay T (2017) Diabetes Mellitus caused by mutations in human insulin: Analysis of impaired receptor binding of insulins Wakayama, Los Angeles and Chicago using Pharmacoinformatics, Journal of Biomolecular Structure & Dynamics, 2017, 1-13. [LINK] |
| | |
| 2016 | |
| |
| 71 | Eugene Kgothatso Machaba, Mhlongo N. and Soliman M E
(2016) Sliding clamp of DNA polymerase III as a drug target for TB therapy: Comprehensive conformational and binding analysis from molecular dynamic simulations, Cell Biochemistry and Biophysics, 74(4), 473-481. |
| 70 | Monu Joy, Adebayo A. Adeniyi, Annie Mathews, Bijo Mathew, S. Prasanth, Mahmoud E.S. Soliman, Jalaja J. Malayan, E.R. Anabha (2016) Probing mechanism of α- Formylketene dithioacetal towards the facile formation of functionalised pyrimidines: a structural approach, Journal of Molecular Structure, 1127, 498-510. |
| 69 | Mhlongo N. and Soliman M E
(2016) Binding Free Energy-Based Footprint Pharmacophore Model to Enhance Virtual Screening and Drug Discovery: A Case on Glycosidases as Anti-influenza Drug Targets, Letters in Drug Design & Discovery, 13(10), 1033-1046. |
| 68 | Pritika Ramharack and Soliman M.E. (2016) Zika Virus Drug Targets: A Missing Link In Drug Design And Discovery – A Route Map To Fill The Gap, RSC Advances, 6, 68719-68731.
|
| 67 | Ellen, M., Jadhav, M., Chunderika, M., Vepuri, S.B., Kalhapure, R.S., Soliman, M.E. & Govender, T. (2017) Preparation and Optimization of Meropenem Loaded Solid Lipid Nanoparticles:In vitro Evaluation and Molecular Modeling. AAPS PharmSciTech, 1-15.
|
| 66 | Favourite N. Cele, Kumalo HM and Soliman M E
(2016) Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B inhibitor coumermycin A1 (C-A1) revealed by Molecular Dynamics Simulations and Thermodynamic Calculations, Cell Biochemistry and Biophysics, 74(3), 353-363. |
| 65 | Sonawane, S. J., Kalhapure, R. S., Rambharose, S., Mocktar, C., Vepuri, S. B., Soliman, M., & Govender, T. (2016). Ultra-small lipid-dendrimer hybrid nanoparticles as a promising strategy for antibiotic delivery : In vitro and in silico studies. International Journal of Pharmaceutics, 504(1-2), 1–10.
|
| 64 | Mathew, B.; Haridas, A.; Uçar, G.; Baysal, I.; Adeniyi, A.A.; Soliman, M.E.S.; MonuJoy, M.; Jayaprakash, V. (2016) Exploration of Chlorinated Thienyl Chalcones: A New Class of Monoamine Oxidase-B Inhibitors, International Journal of Biological Macromolecules, 91, 680-695. |
| 63 | Olayide A. and Soliman M.E. (2016) Molecular Dynamics Simulations of Ligand-Induced Flap Conformational Changes in Cathepsin-D - A Comparative Study, Journal of Cellular Biochemistry, 117(11), 2643-2657. [LINK] |
| 62 | McGillewie L and Soliman M.E. (2016) The Binding Landscape of Plasmepsin V and Implications on Flap Dynamics, Molecular Biosystems, 12, 1457-1467. [LINK] |
61 | Sikwal, DR, Kalhapure, RS, Vepuri, SB, Soliman, M, Mocktar, C and Govender, T (2016) Polyelectrolyte complex of vancomycin as a nanoantibiotic: preparation, in vitro and in silico studies. Materials Science and Engineering: C, 63, 489-498. |
60 | Favourite N. Cele, Muthusamy Ramesh and Soliman M E
(2016) Per-residue energy decomposition (PRED) pharmacophore model to
enhance virtual screening (VS) in drug discovery: A case study for
identification of Reverse transcriptase (RT) inhibitors as potential
Anti-HIV agents, Drug Design, Development and Therapy, 10, 1365-1377. [LINK] |
59 | Kumalo HM and Soliman M. E. (2016) A Comparative Molecular Dynamics Study on BACE1 and BACE2 Flap Flexibility, Journal of Receptors and Signal Transduction, 36(5), 505-514. |
58 | Patrick Appiah-Kubi and Soliman M.E. (2016)
Dual Anti-inflammatory and Selective Inhibition Mechanism of
Leukotriene A4 Hydrolase/Aminopeptidase: Insights From Comparative
Molecular Dynamics and Binding Free Energy Analyses, Journal of Biomolecular Structure & Dynamics, 34(11), 2418-2433. [LINK] |
57 | Ramesh M, Adebayo Adeniyi and Soliman M E (2016) New drug design with covalent modifiers, Expert Opinion On Drug Discovery, 11, 79-90. [LINK]. |
56 | Ramesh M, Suresh B Vepuri,
Oosthuizen F. and Soliman M.E. (2016) Adenosine Monophosphate
Activated Protein Kinase (AMPK) as a Diverse Therapeutic Target: A
Computational Perspective, Applied Biochemistry and Biotechnology, 178(4), 810-830. [LINK] |
55 | Kumalo HM and Soliman M. E. (2016),Per-residue
energy footprints-based pharmacophore modeling as an enhanced in silico
approach in drug discovery: A case study on the identification of novel
β-Secretase1 (BACE1) inhibitors as anti-Alzheimer Agents, Cellular and Molecular Bioengineering, 9(1), 175-189.[LINK]. |
54 | Kumalo HM, Bhakat S and Soliman M. E. (2016),
Investigation of Flap Flexibility of β-Secretase Using Molecular Dynamic
Simulations, Journal of Biomolecular Structure & Dynamics, 34(5), 1008-1019. [LINK]. |
53 | Moonsamy S., Bhakat S., Walker R.C. and Soliman M.E. (2016) Single Active Site Mutation Causes Serious Resistance of HIV Reverse
Transcriptase to Lamivudine: Insight from Multiple Molecular Dynamics
Simulations, Cell Biochemistry and Biophysics, 74(1), 35-48. [LINK] |
52
| Emiliene Berinyuy and Soliman M. E. (2016) A Broad
Spectrum Anti-HIV Inhibitor Significantly Disturbs V1/V2 Domain
Rearrangements of HIV-1 gp120 and Inhibits Virus Entry, Journal of Receptors and Signal Transduction, 36, 119-129. [LINK] |
| 51 | Chetty S., Bhakat S. and Soliman, M.E. (2016)
Multi-drug Resistance Profile of PR20 HIV-1 Protease is attributed to
Distorted Conformational and Drug Binding Landscape: Molecular Dynamics
Insights, Journal of Biomolecular Structure & Dynamics, 34,135-151. [LINK] |
50
| Seedat,N, Kalhapure, RS, Mocktar, C., Vepuri, S.B, Jadhav, M., Soliman, M., Govender, T., (2016) Co-encapsulation of multi-lipids and polymers enhances the performance of vancomycin in lipid polymer hybrid nanoparticles: In vitro and in silico studies, Materials Science and Engineering: C, Materials for Biological Applications, 61,616-630. |
| 49 | Ramesh Gannimani, Muthusamy Ramesh, Sphamandla Mtambo, Karen Pillay, Mahmoud E. Soliman, Patrick Govender (2016) gamma cyclodextrin capped silver nanoparticles for molecular recognition and enhancement of antibacterial activity of Chloramphenicol, Journal of Inorganic Biochemistry, 157, 15-24.
|
48
| Suresh B Vepuri, Devaraje Gowda, Soliman M E
(2016) Synthesis, Characterization and Molecular modelling of a Novel
Dipyridamole Supramolecule- X-ray Structure, Quantum Mechanics and
Molecular Dynamics study to comprehend the Hydrogen Bond Structure -
Activity relationship, Journal of Molecular Structure, 1105, 194-204. [LINK]. |
| 2015 | |
| | |
| 47 | Mhlongo N., Dinat M., Skelton A., Kruger G., Williams I. and Soliman M. E. (2015) Dynamics of the thumb-finger regions in a GH11 xylanase Bacillus circulans: comparison between the Michaelis and covalent intermediate, RSC Advances, 5, 82381 - 82394. [LINK] |
| 46 | McGillewie L and Soliman M.E. (2015) Flap flexibility amongst plasmepsins I, II, III, IV and V: Sequence, structural and molecular dynamics analyses, Proteins: Structure, Function, and Bioinformatics - 83, 1693-1705. [LINK]. |
| 45 | Olayide A. and Soliman M.E. (2015) Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses", Drug Design, Development and Therapy, 9, 6055-6065. [LINK]
|
| 44 | Kumalo HM, Bhakat S and Soliman M. E. (2015) Heat Shock Protein 90 (Hsp90) as Anti-cancer Target for Drug Discovery: An Ample Computational Perspective, Chemical biology & Drug Design, 86, 1131-1160. [LINK]. |
| 43 | Bhakat S and Soliman M.E (2015) Chikungunya Virus (CHIKV) Inhibitors from Natural Sources: A Medicinal Chemistry Perspective, Journal of Natural Medicines, 69, 451-462. [LINK]. |
42 | Ashona S. and Soliman M. E. (2015) Understanding the Cross-resistance of oseltamivir to H1N1 and H5N1 Influenza A neuraminidase mutations using multi-dimensional computational analyses, Drug Design, Development and Therapy, 9, 4137-4154. [PDF] |
| 41 | Ashona S., Mhlongo N. and Soliman M. E. (2015) Anti-cancer glycosidase inhibitors from natural products: A computational and molecular modelling perspective, Anti-Cancer Agents in Medicinal Chemistry, 15, 933-946. [LINK] |
| 40 | Karubiu W, Bhakat S, McGillewie L and Soliman M.E (2015) Flap Dynamics of Plasmepsin Proteases: Proposed Parameters and Molecular Dynamics Insight, Molecular Biosystems, 11, 1061-1066. [LINK] |
39
| Nayak B.V, Ciftci S.Y, Bhakat S, Timri A.K, Sinha
B.N, Ucar G, Soliman M.E, Devadasan V, Jayaprakash V (2015) Monoamine
oxidase inhibitory activity of 2-aryl-4H-chromen-4-one, Bioorganic Chemistry, 25, 72-80. [LINK] |
| 38 | Ramesh Gannimani, Amanda Perumal, Muthusamy Ramesh, Karen, Pillay, Mahmoud E Soliman; Patrick Govender (2015) Antipyrine gamma-cyclodextrin inclusion complex: molecular modeling, preparation, characterization and cytotoxicity studies, Journal of molecular structure, 1089, 38-47. [LINK]
|
| 37 | Kumalo H.M., Bhakat S. and Soliman M.E. (2015) Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls, Molecules, 20, 1984-2000. [LINK] |
| 36 | Mhlongo N.and Soliman M. E. (2015) Single
H5N1 Influenza A Neuraminidase Mutation Develops Resistance to
Oseltamivir Due to Distorted Conformational and Drug Binding Landscape:
Multiple Molecular Dynamics Analyses, RSC Advances, 5, 10849-10861. [LINK]
|
35
| Mashamba T., Soliman M. E. (2015) Insight into the
binding theme of CA-074Me to cathepsin B: molecular dynamics
simulations, binding free energy calculations and scaffold hopping
approach to identify potential analogues as anti-neurodegenerative
diseases, Medicinal Chemistry research, 24, 701-713. [LINK] |
| 34 | Ramesh M and Soliman M.E. (2015) G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective, Combinatorial Chemistry & High Throughput Screening, 18, 346-364. [LINK]
|
| 33 | Sbongile M and Soliman M.E. (2015) In-silico identification of irreversible cathepsin B inhibitors as
anti-cancer agents: virtual screening, covalent docking Analysis and
molecular dynamics simulations, Combinatorial Chemistry & High Throughput Screening, 18, 399-419. [LINK] |
| 32 | Moonsamy S., Bhakat S. and
Soliman M.E. (2015) Dynamic features of apo and bound HIV-Nef protein
reveal the anti-HIV dimerization inhibition mechanism, Journal of Receptors and Signal Transduction, 35, 346-356. [LINK] [PDF]. |
| 31 | Chetty S. and Soliman, M.E. (2015) Possible
allosteric binding site on Gyrase B, a key target for novel anti-TB
drugs: Homology modelling and binding site identification using
molecular dynamics simulation and binding free energy calculations, Medicinal Chemistry Research, 24, 2055-2074. [LINK] |
30
| Maharaj Y., Bhakat S. and Soliman, M.E (2015) Computer-aided
identification of novel DprE1 inhibitors as potential anti-TB lead
compounds: A hybrid virtual-screening and molecular dynamics approach, Letters in Drug Design and Discovery, 12, 302-313. [LINK]
|
| 2014 | |
|
|
| 29 | Bhakat S, Karubiu W, Venkatesan J and Soliman M.E. (2014) A perspective on targeting non-structural proteins to combat Neglected Tropical Diseases: Dengue, West Nile and Chikungunya viruses, European Journal of Medicinal Chemistry, 87, 677-702. [LINK]
|
| 28 | Bhakat S, Martin A and Soliman M.E. (2014) An Integrated Molecular Dynamics, Principal Component Analysis and Residue Interaction Network Approach Reveals the Impact of M184V Mutation on HIV Reverse Transcriptase Resistance to Lamivudine, Molecular Biosystems, 10, 2215-2228. [LINK]
|
| 27 | Karubiu W, Bhakat S, and Soliman M.E. (2014) Compensatory role of Double Mutation N348I/M184V on Nevirapine Binding Landscape: Insight from Molecular Dynamics Simulations, The Protein Journal, 33(5):432-446. [LINK]
|
| 26 | Shaikh F, Bhakat S, Thakur A, Shah A, Soliman M. E., (2014) Identification of novel GSK1070916 Analogs as Potential Aurora B Inhibitors: Insights from Molecular Dynamics and MM/GBSA based rescoring, Letters in Drug Design and Discovery, 12, 2-13. [LINK] |
| 25 | Mhlongo N., Skelton A., Kruger G., Williams I. and Soliman M. E. (2014) A critical survey of average distances between catalytic carboxyl groups in glycoside hydrolases. Proteins: Structure, Function, and Bioinformatics, 82, 1747-1755. [LINK]
|
| 24 | Moonsamy S., Dash R.C., Soliman M.E. (2014) Integrated computational tool for identification of CCR5 antagonists as potential HIV-1 entry inhibitors: homology modeling, virtual screening, molecular dynamics simulations and 3D QSAR analysis, Molecules, 19, 5243-5265. [PDF] |
| 23 | Skelton, A., Maharaj, Y. and Soliman, M.E (2014)Target-bound generated pharmacophore model to improve the pharmacophore-based virtual screening: identification of G-protein coupled human CCR2 receptors inhibitors as anti-inflammatory drugs, Cellular and Molecular Bioengineering, 7, 45-57. [LINK]
|
22
| Moonsamy, S. and Soliman, M.E. (2014) Computer-aided perspective for the design of flexible HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs): de-novo design, virtual screening and molecular dynamics simulations, Letters in Drug Design and Discovery, 11, 513-524. [LINK]
|
21
| Honarparvar, B., Govender, T., Maguire, G. E., Soliman, M. E., and Kruger, H. G. (2014) Integrated approach to strucutre-based drug design, molecular modeling, spetroscopy and experimental bioactivity, Chemical Reviews, 114, 493-537. [LINK]
|
| 20 | Blake, L. and Soliman, M. E. (2014) Identification of irreversible protein splicing inhibitors as potential anti-TB drugs: insight from hybrid non-covalent/covalent docking virtual screening and molecular dynamics simulations, Medicinal Chemistry Research, 23, 2312-2323. [LINK]
|
| 19 | Olayide A., Dash R.C. and Soliman M.E. (2014) QSAR study on diketo acid and carboxamide derivatives as potent HIV-1 integrase inhibitor. Letters in Drug Design and Discovery, 11, 618-627. [PDF].
|
| 18 | Moonsamy, S. and Soliman, M.E. (2014) Dual Acting HIV Inhibitors: Integrated Rational in silico Design Strategy, Medicinal Chemistry Research, 23, 682-689. [LINK]
|
| 2013 | |
| 17 | Naicker, P., Achilonu,
I., Fanucchi, S., Fernandes, M., Ibrahim, M. A., Dirr, H. W., Soliman,
M. E., and Sayed, Y. (2013) Structural insights into the South African
HIV-1 subtype C protease: impact of hinge region dynamics and flap
flexibility in drug resistance, Journal of biomolecular structure & dynamics, 31:12, 1370-1380. [LINK] |
| 16 | Karpoormath, R, Y. Sayed, T. Govender, H.G. Kruger, G.E.M. Maguire, M.E.S. Soliman (2013) Novel PCU cage diol peptides as potential targets against wild type CSA HIV-1 protease; Synthesis, biological screening and molecular modeling studies, Medicinal chemistry research, 22, 3918-3933. [LINK] |
| 15 | Maharaj, Y. and Soliman, M. E. (2013) Identification of novel Gyrase B inhibitors as potential anti-TB drugs: Homology modeling, hybrid virtual screening and molecular dynamics simulations, Chemical biology & Drug Design, 82, 205-215 [LINK] |
| 14 | Blake, L. and Soliman, M. E. (2013) Bifunctional anti-HIV/TB inhibitors: perspective from in-silico design and molecular dynamics simulations, Letters in Drug Design and Discovery, 10, 706-712. [LINK] |
| 13 | Soliman, M. E. (2013) Hybrid pharmacophore and structural based virtual screening for potential HIV inhibitors, Drug Development Research, 74, 283-295. [LINK] |
| 12 | Ahmed, S. M., Kruger, H. G., Govender, T., Maguire, G. E., Sayed, Y., Ibrahim, M. A., Naicker, P., and Soliman, M. E. (2013) Comparison of the Molecular Dynamics and Calculated Binding Free Energies for Nine FDA-Approved HIV-1 PR Drugs Against Subtype B and C-SA HIV PR, Chemical biology & drug design81, 208-218.[LINK] |
| 11 | Makatini, M. M., Petzold, K., Alves, C. N., Arvidsson, P. I., Honarparvar, B., Govender, P., Govender, T., Kruger, H. G., Sayed, Y., Jeronimolameira, Maguire, G. E., and Soliman, M. E. (2013) Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors, Journal of enzyme inhibition and medicinal chemistry 28, 78-88.
|
| 10 | Pawar, S. A., Jabgunde, A. M., Maguire, G. E., Kruger, H. G., Sayed, Y., Soliman, M. E., Dhavale, D. D., and Govender, T. (2013) Linear and cyclic glycopeptide as HIV protease inhibitors, European journal of medicinal chemistry 60C, 144-154.
|
| 2012 | |
9
| Pawar, S. A., Jabgunde, A. M., Govender, P., Maguire, G. E., Kruger, H. G., Parboosing, R., Soliman, M. E., Sayed, Y., Dhavale, D. D., and Govender, T. (2012) Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease, European journal of medicinal chemistry 53, 13-21.
|
| 8 | Honarparvar, B., Makatini, M. M., Pawar, S. A., Petzold, K., Soliman, M. E., Arvidsson, P. I., Sayed, Y., Govender, T., Maguire, G. E., and Kruger, H. G. (2012) Pentacycloundecane-diol-based HIV-1 protease inhibitors: biological screening, 2D NMR, and molecular simulation studies, ChemMedChem 7, 1009-1019. |
| 7 | Karpoormath, R., Sayed, Y., Govender, P., Govender, T., Kruger, H. G., Soliman, M. E., and Maguire, G. E. (2012) Pentacycloundecane derived hydroxy acid peptides: a new class of irreversible non-scissile ether bridged type isoster as potential HIV-1 wild type C-SA protease inhibitors, Bioorganic chemistry, 40, 19-29. |
| 6 | Makatini, M. M., Petzold, K., Arvidsson, P. I., Honarparvar, B., Govender, T., Maguire, G. E., Parboosing, R., Sayed, Y., Soliman, M. E., and Kruger, H. G. (2012) Synthesis, screening and computational investigation of pentacycloundecane-peptoids as potent CSA-HIV PR inhibitors, European journal of medicinal chemistry, 57, 459-467. |
| 5 | Mousavinezhad Sarasia, E., Soliman, M. E. S., and Honarparvar, B. (2012) Theoretical study on the molecular electronic properties of salicylic acid derivatives as anti- inflammatory drugs, J Struct Chem, 53, 574-581. |
|
|
| 2011 | |
| 4 | Makatini, M. M., Petzold, K., Sriharsha, S. N., Ndlovu, N., Soliman, M. E., Honarparvar, B., Parboosing, R., Naidoo, A., Arvidsson, P. I., Sayed, Y., Govender, P., Maguire, G. E., Kruger, H. G., and Govender, T. (2011) Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: a hybrid 2D NMR and docking/QM/MM/MD approach, European journal of medicinal chemistry 46, 3976-3985. |
| 3 | Makatini, M. M., Petzold, K., Sriharsha, S. N., Soliman, M. E., Honarparvar, B., Arvidsson, P. I., Sayed, Y., Govender, P., Maguire, G. E., Kruger, H. G., and Govender, T. (2011) Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease, Bioorganic & medicinal chemistry letters 21, 2274-2277. |
| |
|
| 2009 | | PhD publications |
| 2 | Soliman, M. E., Pernia, J. J., Greig, I. R., and Williams, I. H. (2009) Mechanism of glycoside hydrolysis: A comparative QM/MM molecular dynamics analysis for wild type and Y69F mutant retaining xylanases,Organic & biomolecular chemistry 7, 5236-5244.
|
| 1 | Soliman, M. E., Ruggiero, G. D., Pernia, J. J., Greig, I. R., and Williams, I. H. (2009) Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate: QM/MM molecular dynamics studies of wild-type and mutant xylanases, Organic & biomolecular chemistry 7, 460-468. |