The Mechanism of Yiqi Huoxue Recipe in the Treatment of Diabetes Mellitus Complicated with Coronary Heart Disease Based on Network Pharmacology and Molecular Docking

SUN Fengfeng; LI Caiping; SONG Lijuan

doi:10.12102/j.issn.1672-1349.2025.17.004

Abstract：Objective:To study and verify the mechanism of Yiqi Huoxue Recipe in treating diabetes mellitus complicated with coronary heart disease based on network pharmacology and molecular docking technology.Methods:The effective components and action targets of the Yiqi Huoxue Recipe were collected through the Traditional Chinese Medicine System Pharmacology Data Analysis Platform(TCMSP).Screening was conducted using the UniProt database,and then intersection gene screening was carried out with the disease targets of diabetes complicated with coronary heart disease obtained through the GeneCards database,the Human Mendelist Genetics Online(OMIM)database and the Therapeutic Targets(TTD)database.Drug-active ingredient-disease targets were constructed using Cytoscape software.Protein interaction analysis was performed using the STRING database.Gene ontology(GO)analysis and Kyoto Encyclopedia of Genomics and Genomics(KEGG)enrichment analysis were conducted through the Metascape database.Finally,molecular docking was carried out using the Autoduck software.Results:A total of 116 active ingredients and 268 potential targets were screened.The related targets for diabetes and coronary heart disease were 12 481 and 8 571 respectively,and 226 drug-disease intersection genes were obtained.The main active ingredients of the Yiqi Huoxue Recipe include quercetin,β-sitosterol,kaempferol,onononin,luteolin,etc.The potential targets for the treatment of diabetes mellitus complicated with coronary heart disease mainly included protein kinase B(AKT)1,tumor necrosis factor(TNF),interleukin(IL)-6,IL-1β,tumor protein P53(TP53),and cyclooxygenase 2(PTGS2).KEGG enrichment analysis mainly involved lipid and atherosclerotic pathways,the advanced glycation end product(AGE)-glycation end product receptor(RAGE)signaling pathway and diabetic complications,phosphatidylinositol 3-kinase(PI3K)-AKT signaling pathway,etc.The results of molecular docking showed that the main active component β-sitosterol in the Yiqi Huoxue Recipe with better binding ability with key targets such as AKT1,IL-6,IL-1β,and TP53.Conclusion:The treatment of diabetes mellitus complicated with coronary heart disease by the Yiqi Huoxue Recipe may be a multi-component,multi-target and multi-pathway process of action.