Search Results - "Babatunde, Damilare D."
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Molecular docking and dynamic simulations of some medicinal plants compounds against SARS-CoV-2: an in silico study
Published in Journal of Taibah University for Science (01-01-2020)“…COVID-19 pandemic has poses urgent health challenge, and this project aims to identify potential inhibitors to combat this virus. We screened 198 bioactive…”
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Parasitic Protozoans: Exploring the Potential of N,N’-Bis[2-(5-bromo-7-azabenzimidazol-1-yl)-2-oxoethyl]ethylene-1,3-Diamine and Its Cyclohexyl-1,2-diamine Analogue as TryR and Pf-DHODH Inhibitors
Published in Acta parasitologica (01-12-2023)“…Purpose Major human parasitic protozoans, such as Plasmodium falciparum and Trypanosoma brucei , cause malaria and trypanosomiasis also known as sleeping…”
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Molecular structure, molecular docking, molecular dynamics simulation, and drug likeness evaluation of 3,7-dihydroxy-1,2-dimethoxyxanthone for its anticancer activity
Published in Journal of molecular structure (05-01-2025)“…•3,7-Dihydroxy-1,2-dimethoxyxanthone was investigated by SC-XRD and DFT method.•The molecular docking on cancer cells showed significant binding energies.•The…”
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Journal Article