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分子对接技术在研究群体感应抑制剂中的进展
引用本文:周昱伽,贾宇,马文敏,张昊,马红霞.分子对接技术在研究群体感应抑制剂中的进展[J].微生物学通报,2023,50(10):4626-4638.
作者姓名:周昱伽  贾宇  马文敏  张昊  马红霞
作者单位:吉林农业大学生命科学学院 生物反应器与药物开发教育部工程研究中心, 吉林 长春 130118
基金项目:吉林省自然科学基金(20230101199JC);吉林省科技厅优秀青年人才基金(20180520044JH)
摘    要:在大多数致病菌中都存在群体感应系统,而群体感应抑制剂就是以此系统作为靶点,在不影响细菌生长的情况下阻断细菌生物被膜形成或抑制毒力基因表达,不易导致耐药性的产生,是一种理想的抗菌增效剂。分子对接作为虚拟筛选技术之一,其目标具体、效率高、成本低,是药物研发的重要手段。本文重点介绍了分子对接的主要模块及其在研究群体感应抑制剂中的进展。

关 键 词:分子对接  群体感应  群体感应抑制剂
收稿时间:2023/2/8 0:00:00

Application of molecular docking in the screening of quorum sensing inhibitors: a review
ZHOU Yuji,JIA Yu,MA Wenmin,ZHANG Hao,MA Hongxia.Application of molecular docking in the screening of quorum sensing inhibitors: a review[J].Microbiology,2023,50(10):4626-4638.
Authors:ZHOU Yuji  JIA Yu  MA Wenmin  ZHANG Hao  MA Hongxia
Institution:Engineering Research Center of Bioreactor and Pharmaceutical Development, School of Life Sciences, Jilin Agricultural University, Changchun 130118, Jilin, China
Abstract:Quorum sensing inhibitors target the quorum sensing system ubiquitous in pathogenic bacteria to block the biofilm formation or regulate the expression of virulence genes without threatening bacterial growth. Therefore, they are less likely to trigger bacterial resistance and serve as ideal antibacterial synergists. Molecular docking is one of the virtual screening techniques, characterized by a clear target, high efficiency, low cost means of drug research and development. This paper introduces the main modules of molecular docking and the advances in the application of this technique in the screening of quorum sensing inhibitors.
Keywords:molecular docking  quorum sensing  quorum sensing inhibitors
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