Virtual screening–based discovery of AI-2 quorum sensing inhibitors that interact with an allosteric hydrophobic site of LsrK and their functional evaluation

Virtual screening–based discovery of AI-2 quorum sensing inhibitors that interact with an allosteric hydrophobic site of LsrK and their functional evaluation

Introduction: Quorum sensing (QS) is a bacterial intracellular and intercellular communication system that regulates virulence factor production, biofilm formation, and antibiotic sensitivity. Quorum-sensing inhibitors (QSIs) are a novel class of antibiotics that can effectively combat antibiotic re...

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Bibliographic Details
Main Authors: Qianqian Shi, Huiqi Wen, Yijie Xu, Xu Zhao, Jing Zhang, Ye Li, Qingbin Meng, Fang Yu, Junhai Xiao, Xingzhou Li
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-05-01
Series:Frontiers in Chemistry
Subjects:
ATP competitive inhibitors
LsrK
antibacterial agents
quorum sensing
virtual screening
molecular dynamics
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2023.1185224/full

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