The Mechanism of Yiqi Huoxue Formula for Treating Coronary Heart Disease Based on Network Pharmacology and Molecular Docking
Objective:The molecular mechanism of Yiqi Huoxue formula for the treatment of coronary heart disease were explored and studied by network pharmacology,and verified by the sub-docking.Methods:The active ingredients and targets of Yiqi Huoxue formula were screened by means of Traditional Chinese Medicine(TCM)Systematic Pharmacology Database and Analysis Platform(TCMSP)and Bioinformatics Analysis Tool for Molecular Mechanisms of Traditional Chinese Medicine(BATMAN-TCM).Disease targets corresponding to coronary heart disease were searched in human GeneCards database(GeneCards),Online Mendelian Inheritance in Man database(OMIM),DrugBank,and Therapeutic Target Database(TTD).The R language"Venn"plug-in was used to obtain the common target genes of drug active ingredients and coronary heart disease.The protein-protein interaction(PPI)network diagram was obtained by STRING database.Cytoscape 3.7.2 software CytoNCA plug-in were used to select candidate core target genes,and the relevant active components were obtained in reverse.Common target through R language"ClusterProfile"and other plug-ins was used to perform enrichment analysis of Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG).Cytoscape 3.7.2 software drawed components-target-pathways and core targets and components were selected by node.AutodockTool 4 software was used for molecular docking of the selected core targets and components.Results:A total of 113 main effective components of Yiqi Huoxue formula were screened.After molecular dock-validation,the core targets for the treatment of coronary heart disease were identified as heat shock protein 90 alpha family class a member 1(HSP90AA1),serine/threonine protein kinase B1(AKT1),estrogen receptor 1(ESR1),nuclear factor κB P65(RELA),and Caspase-3(CASP3).The core components were quercetin,kaempferol,luteolin,isorhamnetin,and naringenin.Conclusion:The active chemical components of quercetin,kaempferol,luteolin,isorhamnetin,and naringenin in Yiqi Huoxue prescription may act on key targets such as HSP90AA1,AKT1,ESR1,RELA,and CASP3.It regulates several signaling formula such as lipid and atherosclerosis,fluid shear stress and atherosclerosis,advanced glycation end-product(AGE)/receptor for advanced glycation end products(RAGE)signaling pathway,prostate cancer,and interleukin(IL)-17 signaling pathway,to play some rome for the treatment of coronary heart disease.
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