Discussion on the mechanism of Yiqi Dingxuan Decoction in treating cerebral infarction based on network pharmacology and molecular docking
Objective To preliminarily explore the mechanism of Yiqi Dingxuan Decoction in treating cerebral infarction(CI)by using network pharmacology and molecular docking.Methods The potential targets and active components of Yiqi Dingxuan Decoction in the treatment of cerebral infarction were obtained and screened out through TCMSP database.CI-related targets were determined by using multiple databases and intersected with the potential targets of Yiqi Dingxuan Decoction,and the core targets of Yiqi Dingxuan Decoction in treating CI were obtained.The protein-protein interaction(PPI)network was constructed,and the gene ontology(GO)function enrichment analysis and the Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were carried out on the core targets through R language.Molecular docking technology was used to dock the main active components with the core targets.Results Yiqi Dingxuan Decoction contained 30 active components and 8 core targets acting on CI,which were involved in regulating immune response,tissue hypoxia,signal transduction and other signal pathways.The results of molecular docking showed that luteolin had good binding with tumor suppressor gene(TP53)and stigmasterol with caspase-3(CASP3).Conclusion Yiqi Dingxuan Decoction has the characteristics of multi targets and multi pathways in the treatment of cerebral infarction,which provides reference for the follow-up research.