3D-QSAR and molecular docking studies of 1, 3, 4-oxadiazoles containing substituted phenoxy fragment as inhibitors of enoyl-acyl carrier protein reductase from …

SD Joshi, SR Dixit, UA More, K Raju, R Narayan…

Index: Joshi; Unale; Parkale; Nadagouda; Gadaginamath; Ashalata Indian Journal of Heterocyclic Chemistry, 2012 , vol. 21, # 4 p. 319 - 322

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Abstract

Abstract The antibacterial target, enoyl-acyl carrier protein (ACP) reductase, is a homotetrameric enzyme that catalyzes the last reductive step of fatty acid biosynthesis. In the present paper, Surflex docking and 3D-QSAR studies viz., CoMFA and topomer CoMFA