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

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.