分子对接技术在研究群体感应抑制剂中的进展

Application of molecular docking in the screening of quorum sensing inhibitors: a review

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。

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.