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Ligand Efficiency in Relation to 3D Physicochemical Characters of Novel HIV-1 Vif Antagonist: An Approach in The Optimization of HIV DrugsBy Louis Okeibunor Odeigah, Olalekan Ayodele AGEDE, Ismaila Aberi Obalowu, Yahkub Babatunde Mutalub, George Oche Ambrose
Abstract: AbstractLigand efficiency is a design framework commonly used in drug discovery. Thirty-six (36) newly discovered 1,2,3-triazole analogues as potent new inhibitors of HIV-1 Vif were subjected to quantitative structure-property relationship (QSPR) modeling to predict their ligand efficiencies (LE) in an attempt to improve/optimize it by using some numerical data of HIV-1 Vif inhibitors based on their physical and chemical properties (descriptors). Various 3D physicochemical properties or descriptors were calculated from …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 9, Issue 3, 2022 · pp. 50–59 Read article →