Chromanyl-isoxazolidines as Antibacterial agents: Synthesis, Biological Evaluation, QSAR and Molecular Docking Studies.

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Chromanyl-isoxazolidines as Antibacterial agents: Synthesis, Biological Evaluation, QSAR and Molecular Docking Studies.

Chem Biol Drug Des. 2015 Aug 24;

Authors: Singh G, Sharma A, Kaur H, Ishar MP

Abstract
Regio- and stereoselective 1,3-dipolar cycloadditions of C-(chrom-4-one-3-yl)-N-phenylnitrones (N) with different mono-substituted, disubstituted and cyclic dipolarophiles were carried out to obtain substituted N-phenyl-3'-(chrom-4-one-3-yl)-isoxazolidines (1-40). All the synthesized compounds were assayed for their in-vitro antibacterial activity and display significant inhibitory potential; in particular, compound 32 exhibited good inhibitory activity against S.typhi 1 & S.typhi 2 with MIC value of 1.56 μg/ml and also shows good potential against MRSA with MIC 3.12 μg/ml. Quantitative structure activity relationship (QSAR) investigations with stepwise multiple linear regression analysis and docking simulation studies have been performed for validation of the observed antibacterial potential of the investigated compounds for determination of the most important parameters regulating antibacterial activities. This article is protected by copyright. All rights reserved.

PMID: 26301627 [PubMed - as supplied by publisher]