Mechanism of Xinxuetong Oral Liquid for the Treatment of Coronary Heart Disease Based on Network Pharmacology and Molecular Docking
HUANG Yihong
KE Changlan
KONG Wanwen
WU Kunsheng
WANG Xiaoqi
CHEN Xiaohui
WANG Dawei
Abstract：Objective:To explore the mechanism of Xinxuetong Oral Liquid for the treatment of coronary heart disease(CHD)based on network pharmacology and molecular docking.Methods:The effective ingredients and targets of Xinxuetong Oral Liquid were retrieved by the traditional Chinese medicine system pharmacology database(TCMSP),traditional Chinese medicine information database(TCMID),and bioinformatics analysis tool for molecular mechanisms of traditional Chinese medicine(BATMAN-TCM)databases.The disease targets of CHD were retrieved by GeneCards,DrugBank,online human Mendelian genetic database(OMIM),DisGeNET,and therapeutic target database(TTD)databases,and their intersection targets were obtained.STRING database was used to analyze the protein-protein interaction of the intersection targets.With the Cytoscape 3.10.0 software,the network diagram of"drug-effective component-potential targets-disease"was drawn and core targets were screened.Gene Ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of intersection targets were performed by the DAVID database.Finally,Autodock Vina and PyMOL were used for molecular docking of key active ingredients and targets.Results:A total of 97 kinds of effective ingredients of Xinxuetong oral liquid were obtained,including 239 targets,2 817 targets of coronary heart disease,and 145 intersection targets.The active components such as quercetin,luteolin,kaempferol,tanshinone Ⅱ A,baicalein and β-sitosterol acted on serine/threonine kinase 1(AKT1),vascular endothelial growth factor A(VEGFA),mitogen activated protein kinase 1(MAPK1),and other targets.lt played some role for the treatment of coronary heart disease by regulating lipid,fluid shear stress,advanced glycation end products(AGE)-(receptor for advanced glycation end products(RAGE)signaling pathway and phosphatidylinosiol 3-kinase/protein kinase B(PI3K-AKT)signaling pathway.Conclusion:Xinxuetong Oral Liquid shows the characteristics of multi-component,multi-target,and multi-pathway in the treatment of CHD.
Keywords：coronary heart diseaseXinxuetong Oral Liquidnetwork pharmacologymolecular dockingmechanism
Publication Date：2025-01-15
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：10( 18-27 )