基于网络药理学附子归芍颗粒防治慢性疲劳综合征的作用机制

Mechanism of Fuzi Guishao Granules in Preventing and Treating Chronic Fatigue Syndrome Based on Network Pharmacology

目的基于网络药理学方法和分子对接技术,探讨附子归芍颗粒防治慢性疲劳综合征(CFS)的作用机制。方法利用中药系统药理学数据库与分析平台(TCMSP)数据库筛选附子归芍颗粒的有效成分及作用靶点;利用人类基因数据库、在线《人类孟德尔遗传》数据库筛选慢性疲劳综合征的相关基因,运用cytoscape构建附子归芍颗粒活性成分-靶点图,通过STRING数据库对关键靶点构建网络互作(PPI)网络,DAVID数据库进行基因本体(GO)基因、京都基因和基因百科全书(KEGG)通路富集分析,最后利用AutoDock Vina软件和Pymol软件对药物有效活性成分和关键靶点进行分子对接。结果通过数据库的查找和筛选,最终获得136个主要活性成分和214个作用靶点;交集靶点100个,其中核心靶点10个;通路富集结果共119个。结论初步探讨了附子归芍颗粒防治慢性疲劳综合征的主要活性成分、相关靶点及相关通路,发现附子归芍颗粒能通过多成分、多靶点、多通路发挥防治作用,为其防治CFS临床使用提供了一定的参考依据。

OBJECTIVE To explore the mechanism of Fuzi Guishao granules in preventing and treating chronic fatigue syndrome(CFS)based on network pharmacology and molecular docking technology.METHODS The effective components and targets of Fuzi Guishao granules were screened by TCM System Pharmacology Database and Analysis Platform(TCMSP)database.The related genes of chronic fatigue syndrome were screened by human gene database and online database of Human Mendelian Inheritance.The active ingredient-target map of Fuzi Guishao granules was constructed by cytoscape.The network interaction(PPI)network was constructed for key targets by STRING database,and the gene ontology(GO)gene,Kyoto gene and gene encyclopedia(KEGG)pathway enrichment analysis were carried out by DAVID database.Finally,the effective active ingredients of drugs were docked by AutoDock Vina software and Pymol software.RESULTS Through searching and screening the database,136 main active components and 214 targets were finally obtained,including 100 intersection targets,10 core targets.There were 119 enrichment results.CONCLUSION The main active ingredients,related targets and related pathways of Fuzi Guishao granules in the prevention and treatment of chronic fatigue syndrome are preliminarily discussed,and it is found that Fuzi Guishao granules can play a preventive and therapeutic role in multiple components,multiple targets and multiple pathways,which provides some reference for its clinical use in the prevention and treatment of CFS.