Molecular modelling studies of synthesized pentacyclo-undecane peptides as potential HIV-1 wild type C-SA protease inhibitors. - Bahareh Honarparvar; Hendrik G. Kruger; Mahmoud E. S. Soliman; Glenn E. M. Maguire; Thavendran Govender (J. Cheminformatics, 2013)

Allosteric inhibition abrogates dysregulated LFA-1 activation: Structural insight into mechanisms of diminished immunologic disease. - Maryam Abdullahi; Fisayo A. Olotu; Mahmoud E. S. Soliman (Comput. Biol. Chem., 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. - Maryam Lawal; Fisayo A. Olotu; Mahmoud E. S. Soliman (Comput. Biol. Medicine, 2018)

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. - Opeyemi S. Soremekun; Fisayo A. Olotu; Clement Agoni; Mahmoud E. S. Soliman (Comput. Biol. Chem., 2019)

From genomic variation to protein aberration: Mutational analysis of single nucleotide polymorphism present in ULBP6 gene and implication in immune response. - Opeyemi S. Soremekun; Mahmoud E. S. Soliman (Comput. Biol. Medicine, 2019)

Triple Mycobacterial ATP-synthase mutations impedes Bedaquiline binding: Atomistic and structural perspectives. - Elliasu Y. Salifu; Clement Agoni; Fisayo A. Olotu; Mahmoud E. S. Soliman (Comput. Biol. Chem., 2020)

Computational and drug target analysis of functional single nucleotide polymorphisms associated with Haemoglobin Subunit Beta (HBB) gene. - Opeyemi S. Soremekun; Chisom Ezenwa; Itunuoluwa Isewon; Mahmoud E. S. Soliman; Olaposi I. Omotuyi; Oyekanmi Nashiru; Segun A. Fatumo (Comput. Biol. Medicine, 2020)

Atomistic insights into the selective therapeutic activity of 6-(2, 4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1, 2-a]pyrazin-1(2H)-one towards bromodomain-containing proteins. - Oluwole B. Akawa; Opeyemi S. Soremekun; Fisayo A. Olotu; Mahmoud E. S. Soliman (Comput. Biol. Chem., 2021)

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. - Kehinde F. Omolabi; Emmanuel A. Iwuchukwu; Paul O. Odeniran; Mahmoud E. S. Soliman (Comput. Biol. Chem., 2021)

Distinguishing the optimal binding mechanism through reversible and irreversible inhibition analysis of HSP72 protein in cancer therapy. - Aimen Aljoundi; Ahmed El Rashedy; Mahmoud E. S. Soliman (Comput. Biol. Medicine, 2021)

Halting aberrant DNA methylation via in silico Identification of potent inhibitors of DNMT3B enzyme: Atomistic insights. - Lusanda M. Mtetwa; Elliasu Y. Salifu; Calvin A. Omolo; Mahmoud E. S. Soliman; Mbuso Faya (Comput. Biol. Chem., 2023)