RESUMEN
OBJECTIVES: To analyze the mechanism of Gynostemmae Pentaphylli Herba in the treatment of ischemic stroke based on network pharmacology and molecular docking. METHODS: We used various databases and software, including Cytoscape, Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, Pubchem, Swiss Target Prediction, GenCards, String, and WebGestalt to identify the active components and targets of Gynostemmae Pentaphylli Herba, as well as the targets associated with ischemic stroke. The mechanism of Gynostemmae Pentaphylli Herba in treating ischemic stroke was analyzed from the perspective of protein-protein interaction (PPI) co-expression, Gene Ontology, and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis, and AutoDock was used for molecular docking. RESULTS: A total of 12 active components were identified, and 276 potential targets of Gynostemmae Pentaphylli Herba were obtained. There were 3151 disease targets associated with ischemic stroke. The top 5 active components of Gynostemmae Pentaphylli Herba were Ruvoside_qt, quercetin, 3'-methyleriodictyol, Spinasterol, and Cholesterin (CLR) according to the node degree value. There were 186 common targets between the disease targets of cerebral ischemic stroke and drug targets of Gynostemmae Pentaphylli Herba, with 21 key targets obtained by PPI network analysis. KEGG analysis revealed enrichment in 45 signaling pathways. Biological process increased 139 biological processes. Molecular function enriched 17 cell functions. Cellular component enriched 20 cell components. Molecular docking found that the binding energy of other protein molecules to ligand small molecules was less than -5 kal·mol-1, except that the binding energy of AKT1 to 3'-methyleriodictyol was greater than -5 kal·mol-1. CONCLUSIONS: Gynostemmae Pentaphylli Herba may play a role in treating ischemic stroke by affecting various pathways through its active ingredients such as Ruvoside_qt, quercetin, 3'-methyleriodictyol, Spinasterol and CLR.
