Evaluation of broad-spectrum antibacterial efficacy of quercetin by molecular docking, molecular dynamics simulation and in vitro studies

Evaluation of broad-spectrum antibacterial efficacy of quercetin by molecular docking, molecular dynamics simulation and in vitro studies

This study aims to determine the antibacterial efficacy of a bioactive phytochemical quercetin (QUR), compared to the reference antibiotic ciprofloxacin (CIP), using in vitro and in silico approaches. Following molecular docking, QUR showed strong affinity to the druggable targets from bacteria: Sor...

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Bibliographic Details
Main Authors:	Golak Majumdar, Shyamapada Mandal
Format:	Article
Language:	English
Published:	Elsevier 2024-06-01
Series:	Chemical Physics Impact
Subjects:	Quercetin Molecular docking Molecular dynamic simulations Antibacterial activity ADMET profiles
Online Access:	http://www.sciencedirect.com/science/article/pii/S2667022424000458

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