基于铜绿假单胞菌群体感应系统的潜在抗菌中草药筛选研究

Screening of potential antibacterial Chinese herbal medicines based on quorum sensing system of Pseudomonas aeruginosa

铜绿假单胞菌借助体内的群体感应系统,促进多种毒力因子的表达,产生耐药性,已成为治疗临床感染的一大难题,寻找新的抗菌药物迫在眉睫。本文选取广西常见中草药2733味,建立活性成分库。将库中的小分子与群体感应通路中较为重要的5个耐药相关蛋白进行柔性对接,从中筛选中草药,最终得到小分子配体17个,对应得到可作为潜在群体感应抑制剂的中药材7味,分别是五倍子、苎麻根、羊蹄甲、火炭母、叶下珠、水松、多花野牡丹。相关耐药株抑菌试验证实了所选中药的有效性。

Pseudomonas aeruginosa promotes the expression of a variety of virulence factors and develops drug resistance with the help of the quorum sensing system in vivo,which has become a major problem in the treatment of clinical infections,and it is extremely urgent to find new antibacterial drugs.2733 common Chinese herbal medicines in Guangxi were selected in this work,and the active constituent library was established.After that,five important drug-resistant relative proteins in the quorum sensing were selected,and then they were docked with molecules,excepting to screen Chinese herbal medicine.Finally,the results showed that 17 ligands could be screened and 7 corresponding Chinese herbs could be applied as the potential quorum sensing inhibitors:Galla Chinensis,Rhizoma et Radix Boehmeriae,Radix Bauhiniae Purpureae,Herba Polygoni Chinensis,Herba Phyllanthi Urinarise,Folium Glyptostrobi Pensilis,Herba Melastomatis Polyanthi,respectively.The effectiveness of the selected traditional Chinese medicine was proved by the antimicrobial test of drug-resistant strains.