研究表明微生物致病性在很大程度上受到群体感应系统的调控,筛选群体感应系统抑制剂被认为是解决微生物致病性的有效方法之一.以铜绿假单胞菌群体感应系统受体蛋白RhlR为研究对象,通过蛋白建模,模拟了RhlR蛋白的空间高级结构,在此基础上运用药物虚拟筛选的方法,从中草药小分子数据库(TCM)中筛选出10个与RhlR结合较好的化合物,并对其中2个化合物(穿心莲内酯和绿原酸)进行了活性测定,结果表明穿心莲内酯和绿原酸均具有较好的抑制群体感应系统活性.%The pathogenicity of the pathogen microorganism is regulated partially by microbial quorum sensing (QS) , while the screening of QS inhibitors (QSIs) is regard as an effective strategy to solve this problem. In this study, 3D structural model of RhlR ( Quorum sensing receptor protein) from Pseudomonas aerugi-nosa was simulated by homology modeling with Modeller 9v8. A virtual screening method was employed to screening QSIs from the TCM database based on the simulated 3D structure of RhlR. Ultimately, ten potential QSIs were obtained according with the docking scores. And two compounds ( Andrographolide and Chlorogenic acid) of them were selected for inhibition activities of QS. The results revealed that andrographolide and chlorogenic acid exhibited good QS inhibition activities.
展开▼
