Druggability and drug-likeness concepts in drug design: are biomodelling and predictive tools having their say? C Agoni, FA Olotu, P Ramharack, ME Soliman Journal of molecular modeling 26, 1-11, 2020 | 70 | 2020 |
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 … M Lawal, FA Olotu, MES Soliman Computers in Biology and Medicine 98, 168-177, 2018 | 64 | 2018 |
From mutational inactivation to aberrant gain‐of‐function: unraveling the structural basis of mutant p53 oncogenic transition FA Olotu, MES Soliman Journal of Cellular Biochemistry 119 (3), 2646-2652, 2018 | 48 | 2018 |
An update on the pharmacological usage of curcumin: has it failed in the drug discovery pipeline? F Olotu, C Agoni, O Soremekun, MES Soliman Cell Biochemistry and Biophysics 78 (3), 267-289, 2020 | 35 | 2020 |
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 FA Olotu, C Agoni, E Adeniji, M Abdullahi, ME Soliman Applied Biochemistry and Biotechnology 187, 1061-1080, 2019 | 32 | 2019 |
Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries L Jing, G Wu, X Hao, FA Olotu, D Kang, CH Chen, KH Lee, MES Soliman, ... European Journal of Medicinal Chemistry 183, 111696, 2019 | 29 | 2019 |
Allosteric inhibition abrogates dysregulated LFA-1 activation: Structural insight into mechanisms of diminished immunologic disease M Abdullahi, FA Olotu, ME Soliman Computational biology and chemistry 73, 49-56, 2018 | 29 | 2018 |
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)-7 H-pyrrolo [2, 3-d] pyrimidin-7 … FB Akher, A Farrokhzadeh, FA Olotu, C Agoni, MES Soliman Organic & Biomolecular Chemistry 17 (5), 1176-1190, 2019 | 24 | 2019 |
Natural products database screening for the discovery of naturally occurring SARS‐Cov‐2 spike glycoprotein blockers AG Al‐Sehemi, FA Olotu, S Dev, M Pannipara, ME Soliman, S Carradori, ... ChemistrySelect 5 (42), 13309-13317, 2020 | 23 | 2020 |
Dynamic perspectives into the mechanisms of mutation‐induced p53‐DNA binding loss and inactivation using active perturbation theory: Structural and molecular insights toward … FA Olotu, MES Soliman Journal of Cellular Biochemistry 120 (1), 951-966, 2019 | 22 | 2019 |
Exploring the ring potential of 2, 4-diaminopyrimidine derivatives towards the identification of novel caspase-1 inhibitors in Alzheimer’s disease therapy RO Kumi, OS Soremekun, AR Issahaku, C Agoni, FA Olotu, MES Soliman Journal of molecular modeling 26, 1-17, 2020 | 21 | 2020 |
An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy F Olotu, E Adeniji, C Agoni, I Bjij, S Khan, A Elrashedy, M Soliman Expert Opinion on Drug Discovery 13 (10), 903-918, 2018 | 21 | 2018 |
Recruiting monomer for dimer formation: resolving the antagonistic mechanisms of novel immune check point inhibitors against programmed death ligand-1 in cancer immunotherapy OS Soremekun, FA Olotu, C Agoni, MES Soliman Molecular Simulation 45 (10), 777-789, 2019 | 20 | 2019 |
Does size really matter? Probing the efficacy of structural reduction in the optimization of bioderived compounds–A computational “proof-of-concept” FA Olotu, G Munsamy, MES Soliman Computational and Structural Biotechnology Journal 16, 573-586, 2018 | 20 | 2018 |
Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the … FA Olotu, KF Omolabi, MES Soliman Informatics in medicine unlocked 21, 100451, 2020 | 19 | 2020 |
CF3‐Pyridinyl Substitution on Antimalarial Therapeutics: Probing Differential Ligand Binding and Dynamical Inhibitory Effects of a Novel Triazolopyrimidine‐Based Inhibitor on … C Agoni, EY Salifu, G Munsamy, FA Olotu, M Soliman Chemistry & Biodiversity 16 (12), e1900365, 2019 | 19 | 2019 |
Exploiting the tolerant region I of the non-nucleoside reverse transcriptase inhibitor (NNRTI) binding pocket. Part 2: Discovery of diarylpyrimidine derivatives as potent HIV-1 … X Jiang, B Huang, FA Olotu, J Li, D Kang, Z Wang, E De Clercq, ... European Journal of Medicinal Chemistry 213, 113051, 2021 | 18 | 2021 |
A novel compound purified from Alstonia boonei inhibits Plasmodium falciparum lactate dehydrogenase and plasmepsin II JO Olanlokun, AF Olotu, OM David, TO Idowu, ESM Soliman, ... Journal of Biomolecular Structure and Dynamics 37 (8), 2193-2200, 2019 | 17 | 2019 |
Formamidine-based thiuram disulfides: Synthesis, structural characterization, biological studies, and preliminary cheminformatics evaluation SD Oladipo, FA Olotu, M Soliman, C Mocktar, B Omondi Journal of Molecular Structure 1219, 128553, 2020 | 16 | 2020 |
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 OS Soremekun, FA Olotu, C Agoni, MES Soliman Computational Biology and Chemistry 80, 433-440, 2019 | 16 | 2019 |