A study on the mechanism of the Yangxin Shengmai granules in the treatment of angina pectoris of coronary atherosclerotic heart disease based on network pharmacology and molecular docking technology
Objective:Based on network pharmacology and molecular docking,to explore the active ingredients,potential targets,and possible mechanism of action of the Yangxin Shengmai granules(养生脉颗粒)in the treatment of angina pectoris of coronary atherosclerotic heart disease.Methods:By querying the TCMSP and ETCM database,potential active ingredients and targets of the Yangxin Shengmai granules were screened.Network diagram of traditional Chinese medicine-active ingredients-target was constructed using Cytoscape 3.9.1.Targets related to angina pectoris of coronary atherosclerotic heart disease were obtained in the GeneCards database,TTD database,and Drugbank database.Venny 2.1.0 was used to merge drug target and disease targets,and the results were imported into STRING data platform to construct a protein-protein interaction network,which was topologically analyzed by Cytoscape 3.9.1 software.DAVID database was used to enrich and analyze the biological functions and signaling pathways of its potential targets.Data visualization analysis was carried out through the Bioinformatics platform,and the active ingredient-potential target-signal pathway network of diseases and drugs was constructed by Cytoscape 3.9.1 software.The key targets and active ingredients ranked 5th in the degree value were selected as receptor proteins and ligand small molecules.AutoDockTools 1.5.6 was used to perform molecular docking between the ligand and receptor,and the molecular docking results were visualized by PyMOL.Results:A total of 233 potential active ingredients of the Yangxin Shengmai granules were screened,and 229 therapeutic targets for angina pectoris of coronary atherosclerotic heart disease were identified.Topological analysis obtained key components such as quercetin,β-sitosterol,kaempferol,etc.The key targets in the PPI network were TNF,AKT1,IL-6,etc.GO enrichment analysis screened 568 entries,involving 417 biological processes,49 cell compositions,and 102 molecular functions.A total of 33 gene pathways were obtained by KEGG.The molecular docking results showed that the core components could bind well with the core target.Conclusion:The Yangxin Shengmai granules can treat angina pectoris of coronary atherosclerotic heart disease through multi-component,multi-target and multi-pathway.This study provides a reference for further exploring the curative effect and action mechanism of the Yangxin Shengmai granules in the treatment of angina pectoris of coronary atherosclerotic heart disease.
The Yangxin Shengmai granulesAngina pectoris of coronary atherosclerotic heart diseaseNetwork pharmacologyMolecular docking technology
万方数据
维普
