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Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease.
Edache EI, Uzairu A, Mamza PA, Shallangwa GA, Yagin FH, Abdel Samee N, Mahmoud NF. Edache EI, et al. Among authors: mamza pa. Front Mol Biosci. 2023 Sep 1;10:1254230. doi: 10.3389/fmolb.2023.1254230. eCollection 2023. Front Mol Biosci. 2023. PMID: 37771457 Free PMC article.
Retraction notice to "In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions" [Heliyon 8, 2022 Article e10101].
Abdullahi M, Uzairu A, Shallangwa GA, Mamza PA, Ibrahim MT. Abdullahi M, et al. Among authors: mamza pa. Heliyon. 2023 Aug 2;9(8):e18877. doi: 10.1016/j.heliyon.2023.e18877. eCollection 2023 Aug. Heliyon. 2023. PMID: 37701398 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: mamza pa. 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.