基于网络药理学及分子对接探讨参桂汤治疗心律失常的作用机制

Study on the Mechanism of Shengui Decoction in Treating Arrhythmia Based on Network Pharmacology

摘要: 目的：利用网络药理学探讨参桂汤治疗心律失常的作用机制。方法：通过TCMSP数据库收集参桂汤药物的有效成分及靶点；利用UniProt数据库获取转换靶点基因名；借助人类基因数据库(GeneCards)，Disgenet，DrugBank数据库寻找治疗心律失常的潜在靶点；合并去重后与参桂汤靶点取交集并绘制Venny图；通过STRING数据库分析得出蛋白质相互作用，且通过Cytoscape 3.9.1绘制关键靶点的(PPI)互作网络图。利用Metascape平台进行KEGG通路和GO功能富集分析，后通过Cytoscape 3.9.1软件构建参桂汤对心律失常的药物–药物成分–靶点–疾病–通路网络图。利用Autodock tools 1.5.7、Autodock vina 1.1.2对核心靶点及对应成分进行分子对接,并运用Pymol 2.5软件进行视化处理。结果：参桂汤对治疗心律失常的过程中存在多种成分、多靶点和多通路之间的网络关系，为进一步为研究参桂汤对治疗心律失常的作用机制具有借鉴意义。

Abstract: Objective: To explore the mechanism of treating arrhythmia by means of network pharmacology. Methods: the effective components and targets of compound Shengui decoction were collected by TCMSP database, the gene names of conversion targets were obtained by UniProt database, the po-tential targets for the treatment of arrhythmias were found with the help of human gene database (GeneCards) and Disgenet, DrugBank database, and the target sites of compound Shengui decoction were intersected with the target points of compound Shengui decoction and Venny map was drawn. The protein-protein interaction data were analyzed by STRING database platform, and the (PPI) in-teraction network diagram of key targets was drawn by Cytoscape 3.9.1. The KEGG pathway and GO function enrichment analysis were carried out on the Metascape platform, and then the chemical composition-potential target-signal pathway network of compound Shengui decoction on arrhyth-mia was constructed by Cytoscape 3.9.1 software. Results: there is a network relationship among multiple components, multi-targets and multi-pathways in the treatment of arrhythmias, which can be used as a reference for further studying the mechanism of Shengui decoction in the treatment of arrhythmias.