Education

Biography

Prof. Mahmoud Soliman (B. Pharm., M. Pharm., PhD) is the Dean and Head of School of Health Sciences, UKZN, Westville Campus, and the Head and principal investigator of Molecular Modelling and Drug Design Laboratory. Soliman has joined the School in 2011 after completing his postgraduate degrees (MPhil/PhD - Oct. 2009) at the University of Bath, United Kingdom in field of Molecular Modeling, computational chemistry and drug design, under supervision of Prof. Ian Williams.
Prof. Soliman is the "Editor-in-Chief" of the journal of Organic and Bimolecular Simulations (JOBS), published by Science Publisher, USA, and editor of Journal of Pharmaceutical Chemistry and Journal of Drug Design and Research. Soliman is also academic visitor at the University of Bath, UK, collaborating with Prof. Ian Williams' lab.
Soliman's research mainly focuses on studying of biomolecular systems and drug-protein interactions at molecular level see the full research scope here and publications here.

Research Interest

The research scope of Soliman's Molecular Modeling and Drug Design Research Lab covers a wide range of computational and molecular modeling research areas with main focus on biological systems and drug design approaches.

Main interest is related to design and study of biologically and therapeutically oriented targets by employing the applications of computational methods to the study of problems of chemical and biochemical reactivity, with particular focus upon the transition state, environmental effects on mechanisms, the origins of catalysis, and the interpretation of kinetic isotope effects. This includes mechanistic pathways and transition states for reactions in enzyme and solutions; design of enzyme inhibitors and exploring the binding and catalytic theme of the designed targets and adopting sophisticated computational approaches to understand protein structures and functions.

Professional Activities:

Teaching Experience/Career before joining UKZN (for the period 2002 - 2011)

• Lecturer of Pharmaceutical Organic Chemistry at the Faculty of Pharmacy, Zagazig University, Egypt.
• Visiting Lecturer at El-Asher University, Faculty of Pharmacy, Egypt.
• Academic Visitor, Department of Chemistry, University of Bath, United kingdom
• Teaching assistant, Department of Chemistry, University of Bath, United Kingdom.
• Academic Visitor, School of Chemistry and Physics, UKZN, South Africa – have been invited to teach the chemistry postgraduate students the new approaches in drug discovery and developments.
• Assistant Lecturer, Faculty of Pharmacy, Zagazig University, Egypt.
• Demonstrator of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Egypt.

Teaching/learning training

Service

• Serving as convener in the PG supervision/cohort programme
• Serving as a representative of School of health Sciences on the UKZN academic computing steering committee
• Served as a Research Coordinator, Discipline of Pharmaceutical Sciences, School of Health Sciences, UKZN
• Served on the RSDHC, School of Health Sciences, UKZN
• Served as acting academic leader for the Discipline of Pharmaceutical Sciences, School of Health Sciences, UKZN
• Served as a representative of the School of Health Sciences, UKZN at the KZN Technology Hub assessment committee                                                                                                                               

Publications

1. 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, Accepted.
2. Kumalo HM, Bhakat S and Soliman M. E. (2015), Investigation of Flap Flexibility of b-Secretase Using Molecular Dynamic Simulations, Journal of Biomolecular Structure & Dynamics - Accepted.
3. 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 - Accepted.
4. Emiliene Berinyuy and Soliman M. E. (2015 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, Accepted.
5. 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, Published online
6. Bhakat S and Soliman M.E (2015) Chikungunya Virus (CHIKV) Inhibitors from Natural Sources: A Medicinal Chemistry Perspective, Journal of Natural Medicines, Published online
7. 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, Accepted
8. 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, xx-xx
9. Chetty S., Bhakat S. and Soliman, M.E. (2015) 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, published online
10. Moonsamy S., Bhakat S., Walker R.C. and Soliman M.E. (2015) Single Active Site Mutation Causes Serious Resistance of HIV Reverse Transcriptase to Lamivudine: Insight from Multiple Molecular Dynamics Simulations, Cell Biochemistry and Biophysics, Accepted.
11. 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
12. 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
13. 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
14. Kumalo H.M., Bhakat S. and Soliman M.E. (2015) Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls, Molecules, Accepted
15. 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
16. 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
17. Ramesh M and Soliman M.E. (2015) G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective, Combinatorial Chemistry & High Throughput Screening, 18(4), xx-xx
18. 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(4), xxx-xxx.
19. 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, In Press
20. 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, In press
21. 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, 11,1-12
22. 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]
23. 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]
24. 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]
25. 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]
26. 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]
27. 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]
28. 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]
29. 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]
30. 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]
31. 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]
32. 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].
33. Moonsamy, S. and Soliman, M.E. (2014) Dual Acting HIV Inhibitors: Integrated Rational in silico Design Strategy, Medicinal Chemistry Research, 23, 682-689 [LINK]
34. 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]
35. 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]
36. 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]
37. 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]
38. Soliman, M. E. (2013) Hybrid pharmacophore and structural based virtual screening for potential HIV inhibitors, Drug Development Research, 74, 283-295 [LINK]
39. 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]
40. 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.
41. 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.
42. 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.
43. 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.
44. 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.
45. 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.
46. 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.
47. 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.
48. 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.
49. 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.
50. 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.