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The role and potential of computer-aided drug discovery strategies in the discovery of novel antimicrobials.
Comput Biol Med. 2024 Feb;169:107927. doi: 10.1016/j.compbiomed.2024.107927. Epub 2024 Jan 2.
Comput Biol Med. 2024.
PMID: 38184864
Free article.
Review.
Profiling the antidiabetic potential of GC-MS compounds identified from the methanolic extract of Spilanthes filicaulis: experimental and computational insight.
Ojo OA, Ogunlakin AD, Gyebi GA, Ayokunle DI, Odugbemi AI, Babatunde DE, Akintunde EA, Ezea SC, Asogwa NT, Asaleye RM, Ojo AB.
Ojo OA, et al. Among authors: odugbemi ai.
J Biomol Struct Dyn. 2023 Dec 12:1-22. doi: 10.1080/07391102.2023.2291828. Online ahead of print.
J Biomol Struct Dyn. 2023.
PMID: 38084747
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GC-MS chemical profiling, antioxidant, anti-diabetic, and anti-inflammatory activities of ethyl acetate fraction of Spilanthes filicaulis (Schumach. and Thonn.) C.D. Adams leaves: experimental and computational studies.
Ojo OA, Ogunlakin AD, Gyebi GA, Ayokunle DI, Odugbemi AI, Babatunde DE, Ajayi-Odoko OA, Iyobhebhe M, Ezea SC, Akintayo CO, Ayeleso A, Ojo AB, Ojo OO.
Ojo OA, et al. Among authors: odugbemi ai.
Front Pharmacol. 2023 Jul 20;14:1235810. doi: 10.3389/fphar.2023.1235810. eCollection 2023.
Front Pharmacol. 2023.
PMID: 37547334
Free PMC article.
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Beet leaf (beta vulgaris L.) extract attenuates iron-induced testicular toxicity: Experimental and computational approach.
Ojo OA, Agboola AO, Ogunro OB, Iyobhebhe M, Elebiyo TC, Rotimi DE, Ayeni JF, Ojo AB, Odugbemi AI, Egieyeh SA, Oluba OM.
Ojo OA, et al. Among authors: odugbemi ai.
Heliyon. 2023 Jun 30;9(7):e17700. doi: 10.1016/j.heliyon.2023.e17700. eCollection 2023 Jul.
Heliyon. 2023.
PMID: 37483802
Free PMC article.
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Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation.
Mushebenge AG, Ugbaja SC, Mtambo SE, Ntombela T, Metu JI, Babayemi O, Chima JI, Appiah-Kubi P, Odugbemi AI, Ntuli ML, Khan R, Kumalo HM.
Mushebenge AG, et al. Among authors: odugbemi ai.
Molecules. 2023 Mar 14;28(6):2641. doi: 10.3390/molecules28062641.
Molecules. 2023.
PMID: 36985614
Free PMC article.
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