Navigation
Recent Publications

 2019  
 171

Houda Washah, Clement Agoni, Fisayo A. Olotu, Geraldene Munsamy, and Mahmoud E. S. Soliman (2019), "Tweaking α-galactoceramides: Probing the dynamical mechanisms of improved recognition for invariant natural killer T-cell receptor in cancer immunotherapeutics", Current Pharmaceutical Biotechnology-Accepted.


 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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)

 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 Biotechnology187(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 StudiesInternational 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)

 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.

 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.

 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 Biophysics74(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.
Fisayo A. Olotu, Munsamy Geraldine and Mahmoud Soliman (2018), 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- Accepted.
Fisayo A. Olotu, Munsamy Geraldine and Mahmoud Soliman (2018), 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- Accepted.
Fisayo A. Olotu, Munsamy Geraldine and Mahmoud Soliman (2018), 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- Accepted.
Fisayo A. Olotu, Munsamy Geraldine and Mahmoud Soliman (2018), 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- Accepted.

Contact Webmaster | View the Promotion of Access to Information Act | View our Privacy Policy
© University of KwaZulu-Natal: All Rights Reserved