Mechanism analysis of Xiaoxianxiong Decoction on myocardial ischemia-reperfusion injury based on network pharmacology and molecular docking / 国际中医中药杂志

ABSTRACT

Objective:To analize the mechanism of Xiaoxianxiong Decoction on myocardial ischemiareperfusion injury by network pharmacological method and molecular docking technology. Methods:The effective components and corresponding target proteins of Xiaoxianxiong Decoction were screened by TCMSP, and the predicted target protein names were converted to gene names in UniProt database. The gene target of myocardial ischemia reperfusion injury was screened through the GeneCards and OMIM database. Venn online software was used to obtain the common target of drugs and diseases, then the visual analysis and the "compound-target" network diagram was constructed by using Cytoscape software. The protein interaction network was made by using STRING database and Cytoscape software, and the network topology was analyzed. Molecular docking software (autodock Vina) was used to verify the molecular docking between the top five active components and the top ten core targets, and the GO function of target genes and enrichment analysis of KEGG pathway were analyzed by Bioconductor R software package. Results:After the screening, 38 effective chemical components and 187 target genes of Xiaoxianxiong Decoction and 511 disease-related target genes were obtained. 72 common target genes of drug diseases were obtained. The core targets involved AKT1, MMP9, IL1B, EGF, etc. Go function analysis showed 1 095 biological processes, 24 cell components, 61 molecular functions, and KEGG pathway analysis found 111 related signal pathways. Conclusion:This study predicted that Xiaoxianxiong Decoction could treat myocardial ischemia-reperfusion injury through multiple targets such as AKT1, MMP9, IL1B, EGF, and multiple pathways such as IL-17 signaling pathway and PI3K-Akt signaling pathway, which laid a foundation for further study on the material basis and molecular mechanism of this compound.