To Investigate The Mechanism Of Jinlingzisan In The Treatment Of Coronary Heart Disease Based On Network Pharmacology Combined With Molecular Docking Method

Purpose:Using network pharmacology and molecular docking methods to explore the possible mechanism of Jinlingzi Powder in the treatment of coronary heart disease.Material and method:Search the chemical components of Jinlingzisan through the Traditional Chinese Medicine System Pharmacology Platform(TCMSP),use literature to supplement,and screen based on the value of pharmacokinetic parameters(ADME).Use the TCMSP database to predict the potential targets of chemical components,and uniformly standardize the obtained chemical component target information through the Uni Prot database;screen the coronary heart disease-related targets from the Genecard database,the OMIM database,and the Drugbank database;obtain the Jinlingzisan through the Interacti Venn database Intersection targets of coronary heart disease;use STRING database to construct a PPI network of intersection targets to screen the key targets of Jinlingzisan in the treatment of coronary heart disease;Use Cytoscape3.9 software to construct the relationship network of "Jinlingzisan-compounds-targets-coronary heart disease network",and analyze the topology of the network to clarify the core active ingredients and key targets of Jinlingzisan in the treatment of coronary heart disease;Use Metascape database to perform GO function analysis and KEGG pathway enrichment analysis,and perform virtual verification of molecular docking between the screened core active ingredients and key targets.Results:1.A total of 54 active ingredients were screened from Jinlingzisan,corresponding to 225targets,of which the important ingredients are quercetin,berberine,berberine,stigmasterol,etc.;1495 coronary heart disease-related targets were obtained;gold There were 94 intersecting targets between Lingzisan and coronary heart disease.2.TNF,JUN,AKT1,HSP90AA1,MAPK1,IL6,VEGFA,etc.obtained through the PPI network have the most protein interactions,which may be the key target of Jinlingzi Powder in the treatment of coronary heart disease.3.The results of GO function enrichment revealed that the core targets are mainly involved in the development of the vascular system,cell proliferation and apoptosis,signal transduction,and responses to various substances in four major biological processes and molecular functions;KEGG enrichment analysis found that the targets are mainly enriched It focuses on three major areas:(1)arteriosclerosis-related pathways;(2)inflammatory,infection,and immune-related pathways;(3)cell growth and apoptosis-related pathways.Conclusion:1.Jinlingzisan may treat coronary heart disease by Quercetin,Berberine,Coptisine,Stigmasterol and other compounds.2.Jinlingzisan may pass TNF(tumor necrosis factor),JUN(nuclear proto-oncogene),AKT1(serine/threonine kinase),HSP90AA1(heat shock protein),MAPK1(extracellular signal-regulated kinase 2),IL6(Interleukin 6),VEGFA(vascular endothelial growth factor)and other targets treat coronary heart disease.3.Jinlingzisan may play a role in the treatment of coronary heart disease through four major biological processes and molecular functions involved in the development of the vascular system,cell proliferation and apoptosis,signal transduction,and response to various substances.The signal pathways involved mainly include(1)arteries Pathways related to sclerosis;(2)pathways related to inflammation,infection,and immunity;(3)pathways related to cell growth and apoptosis.