基于网络药理学研究槲皮素调控黄曲霉菌引起宿主感染的分子机制  

Study on mechanism of quercetin in regulation of host infection caused by Aspergillus flavus based on network pharmacology

作　　者：田薇 孙悦龙 杨娟[1] 李中媛 李秀梅[1] TIAN Wei;SUN Yue-long;YANG Juan;LI Zhong-yuan;LI Xiu-mei

机构地区：[1]中国农业科学院饲料研究所农业农村部饲料生物技术重点实验室,北京100081 [2]天津科技大学生物工程学院,天津300457

出　　处：《饲料研究》2022年第24期79-83,共5页Feed Research

摘　　要：试验基于网络药理学方法研究槲皮素调控黄曲霉菌引起宿主感染的分子网络调控机制。利用中药系统药理学在线分析数据库(TCMSP)筛选出槲皮素潜在作用靶点,通过Genecards数据库以“黄曲霉菌”为关键词检索相关靶点;通过Venny平台获取槲皮素和黄曲霉菌的交集靶点,String数据库建立PPI网络图并选取关键靶点,DAVID数据库进行GO功能富集和KEGG通路富集分析;通过Autodock Tools 1.5.7软件将槲皮素和核心抑菌靶点进行分子对接。结果显示:共筛选得到槲皮素潜在作用靶点128个,黄曲霉菌相关靶点60个,槲皮素调控黄曲霉菌引起宿主感染关键靶点12个。GO功能富集分析得到144个条目,包括生物过程条目127个(如细胞因子介导的信号通路、细胞对脂多糖的反应、基因表达的正向调控),细胞组分条目3个(如细胞外空间、细胞外区、细胞表面),分子功能条目14个(如咖啡因氧化酶活性、细胞因子活性、酶结合)。KEGG富集分析结果显示,槲皮素调控黄曲霉菌引起宿主感染与炎症性肠病、IL-17信号通路、TNF信号通路等10条信号通路相关。分子对接结果显示,IL-6与槲皮素有较好亲和力,可能是槲皮素调控黄曲霉菌引起宿主感染的主要靶点。研究表明,槲皮素可能通过IL-17、TNF信号通路的关键靶点IL-6调控黄曲霉菌引起宿主感染。The study was to investigate the molecular network regulation mechanism of quercetin on host infection caused by Aspergillus flavus based on network pharmacological methods.The potential target of quercetin was screened by TCM systematic pharmacology online analysis database(TCMSP),and relevant target was searched by using key word’Aspergillus flavus’in Genecards database.The intersection targets of quercetin and Aspergillus flavus were obtained through Venny platform.The String database established PPI network diagram and selected key targets.The DAVID database was used for GO function enrichment and KEGG pathway enrichment analysis.Use Autodock Tools 1.5.7 software to dock quercetin with core antibacterial target.The results showed that 128 potential targets of quercetin,60 related targets of Aspergillus flavus,and 12 key targets of quercetin regulating host infection caused by Aspergillus flavus were screened.The GO function enrichment analysis yielded 144 entries,including 127 entries for biological processes(such as cytokine mediated signal pathway,cell response to lipopolysaccharide and positive regulation of gene expression),three entries for cell components(such as extracellular space,extracellular region,and cell surface),and14 entries for molecular functions(such as caffeine oxidase activity,cytokine activity,and enzyme binding).The results of KEGG enrichment analysis showed that quercetin regulation of host infection caused by Aspergillus flavus was related to inflammatory bowel disease,IL-17 signal pathway,TNF signal pathway and other ten signal pathways.The results of molecular docking showed that IL-6 had good affinity with quercetin,which might be the main target of quercetin in regulating host infection caused by Aspergillus flavus.The study indicates that quercetin may regulate Aspergillus flavus to cause host infection through IL-6,the key target of IL-17 and TNF signaling pathway.

关 键 词：槲皮素 黄曲霉菌 网络药理学 作用机制 

分 类 号：S859[农业科学—临床兽医学]