The molecular mechanism of Xiaoxuming decoction in the treatment of ischemic stroke based on network pharmacology and molecular docking

Abstract

Xiaoxuming decoction is a traditional Chinese medicine that has been widely used in the clinical treatment of ischemic stroke (IS). This study employed network pharmacology to identify the bioactive molecules and therapeutic mechanism of Xiaoxuming decoction against IS. First, the traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) was utilized to obtain the ingredients and potential target proteins related to IS in the Xiaoxuming decoction. Subsequently, known target proteins related to IS were collected from online Mendelian inheritance in man (OMIM), Disgenet, and Gencards databases. The mechanism of Xiaoxuming decoction against IS was identified by enrichment analysis of gene ontology (GO) and Kyoto Encyclopedia of genes and genomes (KEGG). Additionally, protein–protein interaction data were obtained from the search tool for the retrieval of interacting genes/proteins (STRING). The hub gene was further screened out from the gene expression omnibus (GEO) and verified by molecular docking. The study identified a total of 183 candidate molecules and 140 targets related to IS. These candidate targets regulate biological processes including inflammation, autophagy, oxidative stress, and vascular reaction. Our findings provide a comprehensive demonstration of the active compounds, key targets, main signaling pathways, and underlying molecular mechanisms of Xiaoxuming decoction in treating IS.