摘要
Abstract
Objective:To study the action mechanism of the Shaoyao Gancao decoction(芍药甘草汤)in the treatment of angina pectoris in coronary heart disease through network pharmacology and molecular docking technology.Methods:The effective ingredients and targets of the Shaoyao Gancao decoction were screened out from TCMSP,and angina pectoris-associated targets were obtained by Gene Cards,OMIM,TTD,and GKB databases,so as to obtain the intersection of drug targets and disease targets.The target veen diagram of the Shaoyao Gancao decoction and angina pectoris was obtained by jvenn website.The component-target-disease network diagram was constructed by Cytoscape software,and the protein-protein interaction network was constructed by STRING online database.Genetic ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)enrichment analyses were conducted by RStudio software to screent out the relevant signal pathways and analyze the action mechanism.Througn Autodock Vina and PyMOL software,the molecular docking of key targets and active ingredient molecules,and the visual analysis of docking results were performed.Results:There were 13 active components of Baishao(Radix Paeoniae Alba)and 92 active components of Gancao(Radix Glycyrrhizae),and 212 targets on angina pectoris.The main active ingredients included quercetin,kaempferol,etc.The key targets were IL-6,ESR1,etc.Enrichment analyses showed that the key biological processes involved in the active components of the Shaoyao Gancao decoction included responses to exogenous stimulation,oxidative stress,and nutrient level.The main signaling pathways were lipid and atherosclerosis signaling pathway,PI3K/Akt signaling pathway,etc.The molecular docking results showed that AKT1 had lower binding energy with kaempferol,and the binding conformation was more stable.Conclusion:The Shaoyao Gancao decoction can play a role in the treatment of angina pectoris through muti-ingredient,muti-target,and multi-pathway.关键词
芍药甘草汤/心绞痛/网络药理学/分子对接Key words
The Shaoyao Gancao decoction/Angina pectoris/Network pharmacology/Molecular docking分类
医药卫生
