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Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.
Ja'afaru SC, Uzairu A, Hossain S, Ullah MH, Sallau MS, Ndukwe GI, Ibrahim MT, Bayil I, Moin AT. Ja'afaru SC, et al. Among authors: ibrahim mt. PLoS Negl Trop Dis. 2024 Sep 12;18(9):e0012453. doi: 10.1371/journal.pntd.0012453. eCollection 2024 Sep. PLoS Negl Trop Dis. 2024. PMID: 39264908 Free PMC article.
Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions.
Abdullahi M, Uzairu A, Shallangwa GA, Mamza PA, Ibrahim MT. Abdullahi M, et al. Among authors: ibrahim mt. Beni Suef Univ J Basic Appl Sci. 2022;11(1):104. doi: 10.1186/s43088-022-00280-6. Epub 2022 Aug 19. Beni Suef Univ J Basic Appl Sci. 2022. PMID: 36000144 Free PMC article.
In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions.
Abdullahi M, Uzairu A, Shallangwa GA, Mamza PA, Ibrahim MT. Abdullahi M, et al. Among authors: ibrahim mt. Heliyon. 2022 Aug 8;8(8):e10101. doi: 10.1016/j.heliyon.2022.e10101. eCollection 2022 Aug. Heliyon. 2022. Retraction in: Heliyon. 2023 Aug 02;9(8):e18877. doi: 10.1016/j.heliyon.2023.e18877 PMID: 36016519 Free PMC article. Retracted.
79 results