Molecular mechanism of Qishen Yiqi Gutta Pills in treating myocardial infarction based on GEO database and network pharmacology

Ji Junfeng; Zhao Guifeng

doi:10.3969/j.issn.1674-4055.2023.12.04

Abstract：Objective To discuss the curative effect and effect mechanism of Qishen Yiqi Gutta Pills on myocardial infarction(MI)by using GEO database and method of network pharmacology.Methods MI differential genes were screened from GEO database.The relevant active ingredients of Qishen Yiqi Gutta Pills were screened from TCMSP database and through literature searching.The ingredient targets were predicted from SwissTargePrediction database.The intersection of differential genes and ingredient targets was gained and a"active ingredient-intersection target"regulatory network was constructed by using Cytoscape software.A protein interaction network was constructed from STRING database,and was analyzed by using MCODE plugin in Cytoscape software to get significant gene modules.The intersection targets were given the enrichment analysis of GO function and KEGG pathway by using R package including ClusterProfiler.The molecular docking of ingredient-target was performed by using AutoDock Vina.The GEO data was given an immune infiltration analysis by using CIBERSORT algorithm,and key gene expression and immune cell content were given a Spearman correlation analysis.Results There were totally 687 MI differential genes,777 active ingredient targets and 48 intersection targets obtained.PTGS2,MMP9 and STAT3 were possibly the key target genes in MI treatment with Qishen Yiqi Gutta Pills.Molecular docking simulation showed that the best 3 active ingredients were cryptotanshinone,kaempferol and luteolin.KEGG results showed that intersection targets were mainly enriched in NF-κB signaling pathway,TNF signaling pathway,fluid shear stress and atherosclerosis pathway.The key genes were positively correlated to activated mast cells,neutrophils and activated natural killer cells(P＜0.05),and negatively correlated to resting CD4 memory T cells(P＜0.05).Conclusion Qishen Yiqi Gutta Pills can be used for treating MI through a multi-ingredient,multi-target and multi-pathway manner.The study preliminarily identified the material basis,key target and pathways of curative effect of Qishen Yiqi Gutta Pills,in order to provide reference for subsequent researches.