天然产物中细菌群体感应抑制剂虚拟筛选研究进展  

Research Progress on Virtual Screening of Bacterial Quorum Sensing Inhibitors in Natural Products

作　　者：孟凡颖 杨敏 顾雯 杨兴鑫 俞捷 MENG Fanying;YANG Min;GU Wen;YANG Xingxin;YU Jie(Yunnan Key Laboratory of Southern Medicine Utilization,Yunnan University of Chinese Medicine,Kunming 650500,China;Kunming Third Peopleʼs Hospital,Kunming 650041,China)

机构地区：[1]云南中医药大学,云南省南药资源可持续利用重点实验室,昆明650500 [2]昆明市第三人民医院,昆明650041

出　　处：《中国现代应用药学》2022年第5期695-704,共10页Chinese Journal of Modern Applied Pharmacy

基　　金：国家自然科学基金项目(82174037,81960710);云南省科技计划项目(202001AV070007,2019IB009,202001AZ070001-037)。

摘　　要：群体感应现象是近年来微生物学领域研究的热点。随着对群体感应研究的不断深入,各种群体感应抑制剂相继涌现。虚拟筛选是基于小分子数据库开展的活性化合物筛选手段,是寻找先导化合物、发现药物构效关系、优化药物设计、发现药物作用靶标的有效方法。虚拟筛选具有成本低、效率高的优点,将该技术应用于筛选群体感应抑制剂研究具有良好的应用前景。本文主要依据细菌群体感应信号分子的种类,综述目前应用虚拟筛选技术筛查天然产物来源群体感应抑制剂的研究现状。Quorum sensing is a hot topic in microbiology in recent years.With the deepening of quorum sensing research,various quorum sensing inhibitors have emerged.Virtual screening is an active compound screening method based on small molecule database.It is an effective method to search for lead compounds,discover drug structure-activity relationships,optimize drug design,and discover drug targets.Virtual screening has the advantages of low cost and high efficiency,and it has a good application prospect in screening quorum sensing inhibitors research.In this paper,based on the types of bacterial quorum sensing signaling molecules,the current research status of screening quorum sensing inhibitors from natural products by virtual screening technology was reviewed.

关 键 词：虚拟筛选 群体感应 天然产物 群体感应抑制剂 

分 类 号：R285.5[医药卫生—中药学]