Discovery of AI-2 Quorum Sensing Inhibitors Targeting the LsrK/HPr Protein–Protein Interaction Site by Molecular Dynamics Simulation, Virtual Screening, and Bioassay Evaluation

Discovery of AI-2 Quorum Sensing Inhibitors Targeting the LsrK/HPr Protein–Protein Interaction Site by Molecular Dynamics Simulation, Virtual Screening, and Bioassay Evaluation

Quorum sensing (QS) is a cell-to-cell communication mechanism that regulates bacterial pathogenicity, biofilm formation, and antibiotic sensitivity. Among the identified quorum sensing, AI-2 QS exists in both Gram-negative and Gram-positive bacteria and is responsible for interspecies communication....

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Bibliographic Details
Main Authors: Yijie Xu, Chunlan Zeng, Huiqi Wen, Qianqian Shi, Xu Zhao, Qingbin Meng, Xingzhou Li, Junhai Xiao
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Pharmaceuticals
Subjects:
AI-2
quorum sensing
antibacterial agents
LsrK
virtual screening
molecular dynamics
Online Access:https://www.mdpi.com/1424-8247/16/5/737

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https://www.mdpi.com/1424-8247/16/5/737

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