| Molecular modeling in drug discovery TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... Informatics in Medicine Unlocked 29, 100880, 2022 | 106 | 2022 |
| Direct Keap1-kelch inhibitors as potential drug candidates for oxidative stress-orchestrated diseases: A review on In silico perspective ID Boyenle, UC Divine, R Adeyemi, KS Ayinde, OT Olaoba, C Apu, L Du, ... Pharmacological Research 167, 105577, 2021 | 37 | 2021 |
| Targeting the mitochondrial permeability transition pore for drug discovery: Challenges and opportunities ID Boyenle, AK Oyedele, AT Ogunlana, AF Adeyemo, FS Oyelere, ... Mitochondrion 63, 57-71, 2022 | 22 | 2022 |
| Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations TI Adelusi, AQK Oyedele, OE Monday, ID Boyenle, MO Idris, AT Ogunlana, ... Journal of Molecular Structure 1250, 131879, 2022 | 22 | 2022 |
| Consensus scoring-based virtual screening and molecular dynamics simulation of some TNF-alpha inhibitors ID Boyenle, TI Adelusi, AT Ogunlana, RA Oluwabusola, NO Ibrahim, ... Informatics in Medicine Unlocked 28, 100833, 2022 | 22 | 2022 |
| Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices AQK Oyedele, AT Ogunlana, ID Boyenle, AO Adeyemi, TO Rita, TI Adelusi, ... Molecular Diversity 27 (4), 1879-1903, 2023 | 20 | 2023 |
| AMPK allostery: a therapeutic target for the management/treatment of diabetic nephropathy KS Ayinde, OT Olaoba, B Ibrahim, D Lei, Q Lu, X Yin, TI Adelusi Life sciences 261, 118455, 2020 | 19 | 2020 |
| Exploring the inhibitory potentials of Momordica charantia bioactive compounds against Keap1-Kelch protein using computational approaches TI Adelusi, M Abdul-Hammed, MO Idris, OQ Kehinde, ID Boyenle, ... In Silico Pharmacology 9 (1), 39, 2021 | 17 | 2021 |
| Molecular Docking Assessment of Clinically Approved Antiviral Drugs against Mpro, Spike Glycoprotein and Angiotensin Converting Enzyme-2 Revealed Probable Anti-SARS-CoV-2 … TI Adelusi, M Abdul-Hammed, EM Ojo, QK Oyedele, ID Boyenle, ... Tropical Journal of Natural Product Research (TJNPR) 5 (4), 778-791, 2021 | 16 | 2021 |
| Integrated virtual screening and molecular dynamics simulation revealed promising drug candidates of p53-MDM2 interaction AQK Oyedele, TI Adelusi, AT Ogunlana, RO Adeyemi, OE Atanda, ... Journal of Molecular Modeling 28 (6), 142, 2022 | 13 | 2022 |
| Molecular modeling in drug discovery. Inform Med Unlocked 29: 100880 TI Adelusi, AQK Oyedele, ID Boyenle, AT Ogunlana, RO Adeyemi, ... | 6 | 2022 |
| Computer-aided drug design of some KRAS G12C inhibitors: targeting the covalent and allosteric binding site for cancer therapy AT Ogunlana, AQK Oyedele, ID Boyenle, SO Ayoola, AC Ajibare, ... Informatics in Medicine Unlocked 32, 101032, 2022 | 6 | 2022 |
| Structure-based computational design of novel covalent binders for the treatment of sickle cell disease AT Ogunlana, ID Boyenle, TO Ojo, BO Quadri, OE Elegbeleye, ... Journal of Molecular Graphics and Modelling 124, 108549, 2023 | 4 | 2023 |
| Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations AQK Oyedele, AT Ogunlana, ID Boyenle, NO Ibrahim, IO Gbadebo, ... Molecular Diversity 27 (4), 1795-1807, 2023 | 4 | 2023 |
| Reinstating apoptosis using putative Bcl-xL natural product inhibitors: Molecular docking and ADMETox profiling investigations ID Boyenle, AT Ogunlana, AQK Oyedele, BK Olokodana, N Owolabi, ... Journal of Taibah University Medical Sciences 18 (3), 461-469, 2023 | 4 | 2023 |
| Amaranthus spinosus (Spiny Pigweed) methanol leaf extract alleviates oxidative and inflammation induced by doxorubicin in male sprague dawley rats OA Akinloye, LA Sulaimon, OE Ogunbiyi, AE Odubiyi, AA Adewale, ... Advances in Traditional Medicine 23 (4), 1231-1248, 2023 | 3 | 2023 |
| Promising disruptors of p53-MDM2 dimerization from some medicinal plant phytochemicals: a molecular modeling study AQK Oyedele, TI Adelusi, AT Ogunlana, MA Ayoola, RO Adeyemi, ... Journal of Biomolecular Structure and Dynamics 41 (12), 5817-5826, 2023 | 3 | 2023 |
| The discovery of some promising putative binders of KRAS G12D receptor using computer-aided drug discovery approach AQK Oyedele, NA Owolabi, TT Odunitan, AA Christiana, RO Jimoh, ... Informatics in Medicine Unlocked 37, 101170, 2023 | 3 | 2023 |
| GCMS fingerprints and phenolic extracts of Allium sativum inhibit key enzymes associated with type 2 diabetes TI Adelusi, ID Boyenle, A Tolulope, J Adebisi, JO Fatoki, CD Ukachi, ... Journal of Taibah University Medical Sciences 18 (2), 337-347, 2023 | 2 | 2023 |
| Jatonik polyherbal mixture induced rat liver MMPT pore opening in normal Wistar rat: In vitro and in vivo studies OP Folashade, ID Boyenle, TA Oyedeji, FD Ojeniyi, AA Damilare, ... Chinese Herbal Medicines 16 (1), 113-120, 2024 | | 2024 |
