Oyedele AK - Search Results

1

Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices.

Oyedele AK, Ogunlana AT, Boyenle ID, Adeyemi AO, Rita TO, Adelusi TI, Abdul-Hammed M, Elegbeleye OE, Odunitan TT. Oyedele AK, et al. Mol Divers. 2023 Aug;27(4):1879-1903. doi: 10.1007/s11030-022-10523-4. Epub 2022 Sep 4. Mol Divers. 2023. PMID: 36057867 Free PMC article. Review.

2

Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)-Molecular dynamics, molecular mechanics, and density functional theory investigations.

Adelusi TI, Oyedele AK, Monday OE, Boyenle ID, Idris MO, Ogunlana AT, Ayoola AM, Fatoki JO, Kolawole OE, David KB, Olayemi AA. Adelusi TI, et al. Among authors: oyedele ak. J Mol Struct. 2022 Feb 15;1250:131879. doi: 10.1016/j.molstruc.2021.131879. Epub 2021 Nov 11. J Mol Struct. 2022. PMID: 34785822 Free PMC article.

3

Targeting the mitochondrial permeability transition pore for drug discovery: Challenges and opportunities.

Boyenle ID, Oyedele AK, Ogunlana AT, Adeyemo AF, Oyelere FS, Akinola OB, Adelusi TI, Ehigie LO, Ehigie AF. Boyenle ID, et al. Among authors: oyedele ak. Mitochondrion. 2022 Mar;63:57-71. doi: 10.1016/j.mito.2022.01.006. Epub 2022 Jan 22. Mitochondrion. 2022. PMID: 35077882 Review.

4

Integrated virtual screening and molecular dynamics simulation revealed promising drug candidates of p53-MDM2 interaction.

Oyedele AK, Adelusi TI, Ogunlana AT, Adeyemi RO, Atanda OE, Babalola MO, Ashiru MA, Ayoola IJ, Boyenle ID. Oyedele AK, et al. J Mol Model. 2022 May 10;28(6):142. doi: 10.1007/s00894-022-05131-w. J Mol Model. 2022. PMID: 35536362

5

Promising disruptors of p53-MDM2 dimerization from some medicinal plant phytochemicals: a molecular modeling study.

Oyedele AK, Adelusi TI, Ogunlana AT, Ayoola MA, Adeyemi RO, Babalola MO, Ayorinde JB, Isong JA, Ajasa TO, Boyenle ID. Oyedele AK, et al. J Biomol Struct Dyn. 2023 Jul-Aug;41(12):5817-5826. doi: 10.1080/07391102.2022.2097313. Epub 2022 Jul 13. J Biomol Struct Dyn. 2023. PMID: 35822492

6

Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations.

Oyedele AK, Ogunlana AT, Boyenle ID, Ibrahim NO, Gbadebo IO, Owolabi NA, Ayoola AM, Francis AC, Eyinade OH, Adelusi TI. Oyedele AK, et al. Mol Divers. 2023 Aug;27(4):1795-1807. doi: 10.1007/s11030-022-10534-1. Epub 2022 Oct 21. Mol Divers. 2023. PMID: 36271195

7

GCMS fingerprints and phenolic extracts of Allium sativum inhibit key enzymes associated with type 2 diabetes.

Adelusi TI, Boyenle ID, Tolulope A, Adebisi J, Fatoki JO, Ukachi CD, Oyedele AK, Ayoola AM, Timothy AA. Adelusi TI, et al. Among authors: oyedele ak. J Taibah Univ Med Sci. 2022 Oct 11;18(2):337-347. doi: 10.1016/j.jtumed.2022.09.011. eCollection 2023 Apr. J Taibah Univ Med Sci. 2022. PMID: 36817213 Free PMC article.

8

Structure-based computational design of novel covalent binders for the treatment of sickle cell disease.

Ogunlana AT, Boyenle ID, Ojo TO, Quadri BO, Elegbeleye OE, Ogbonna HN, Ayoola SO, Badmus IO, Manica AK, Joshua KI, Onikute OW, Anamelechi JP, Odetunde A, Falusi AG, Oyedele AK. Ogunlana AT, et al. Among authors: oyedele ak. J Mol Graph Model. 2023 Nov;124:108549. doi: 10.1016/j.jmgm.2023.108549. Epub 2023 Jun 17. J Mol Graph Model. 2023. PMID: 37339569

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