基于网络药理学和分子对接方法探讨黄芪多糖治疗慢性心力衰竭作用机制

Mechanism of Astragalus Polysaccharide in the Treatment of Chronic Heart Failure Based on Network Pharmacology and Molecular Docking

目的基于网络药理学和分子对接方法分析黄芪多糖治疗慢性心力衰竭的分子生物学机制。方法利用Swisstarget数据库筛选出黄芪多糖活性成分的作用靶点,利用GeneCards数据库筛选慢性心力衰竭疾病作用相关靶点。利用STRING数据库进行蛋白互作网络分析,利用Cytoscape构建蛋白互作网络进行可视化分析,利用David数据库进行GO分析和KEGG信号通路富集分析,利用iGEMDOCK软件进行分子对接。结果筛选出黄芪多糖的潜在靶点299个,与慢性心力衰竭疾病相关的靶点28个,信号通路26条。结论黄芪多糖治疗慢性心力衰竭具有多靶点、多通路作用的特点,其作用机制可能是通过调节慢性心力衰竭发展过程中VEGFA、TP53、IL2、TLR4、CASP3、ACE等基因的表达,调控HIF-1信号通路、钙信号通路和PI3K/Akt信号通路等对慢性心力衰竭进行干预。

Objective To analyze the molecular biological mechanism of astragalus polysaccharide in the treatment of chronic heart failure(CHF)based on network pharmacology and bioinformatics methods.Methods The targets of astragalus polysaccharide were screened by uploading the chemical structure to Swisstarget database.Related targets of CHF were screened by Gene Cards databases.The above targets were imported into STRING database for PPI network analysis.Gene Ontology analysis and enrichment analysis of KEGG signaling pathway were performed by David.i GEMDOCK software was used for molecular docking to test the binding of astragalus polysaccharide to the targets of CHF.Results A total of 299 possible potential targets of astragalus polysaccharide,28 targets related to CHF and 26 signal pathways were identified.Conclusion Astragalus polysaccharide has the characteristics of multi-target and multi-pathway in the treatment of CHF,and Its possible mechanism is to intervene in CHF by regulating the expression of VEGFA,TP53,IL2,TLR4,CASP3 and other genes during the development of CHF,regulating the HIF-1 signaling pathway,calcium signaling pathway and PI3 K-Akt signaling pathway.