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Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization - Insight from DFT calculations, molecular docking and molecular dynamics simulations.
Tuberculosis (Edinb). 2020 Mar;121:101920. doi: 10.1016/j.tube.2020.101920. Epub 2020 Mar 6.
Tuberculosis (Edinb). 2020.
PMID: 32279872
Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerization.
Akinpelu OI, Lawal MM, Kumalo HM, Mhlongo NN.
Akinpelu OI, et al.
J Biomol Struct Dyn. 2022 Mar;40(4):1558-1570. doi: 10.1080/07391102.2020.1830176. Epub 2020 Oct 6.
J Biomol Struct Dyn. 2022.
PMID: 33021149
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Identifying the analogues of berberine as promising antitubercular drugs targeting Mtb-FtsZ polymerisation through ligand-based virtual screening and molecular dynamics simulations.
Akinpelu OI, Kumalo HM, Mhlongo SI, Mhlongo NN.
Akinpelu OI, et al.
J Mol Recognit. 2022 Feb;35(2):e2940. doi: 10.1002/jmr.2940. Epub 2021 Dec 15.
J Mol Recognit. 2022.
PMID: 34910337
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Ligand-Guided Investigation of a Series of Formamidine-Based Thiuram Disulfides as Potential Dual-Inhibitors of COX-1and COX-2.
Oladipo SD, Akinpelu OI, Omondi B.
Oladipo SD, et al. Among authors: akinpelu oi.
Chem Biodivers. 2023 Jan;20(1):e202200875. doi: 10.1002/cbdv.202200875. Epub 2022 Dec 29.
Chem Biodivers. 2023.
PMID: 36515971
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