Objective: To explore the mechanism of Twenty Five Flavored Coral Pills in the treatment of ischemic stroke (IS) based on network pharmacology and molecular docking. Methods: The active ingredients of Twenty Five Flavored Coral Pills were searched through TCMSP and Herb databases, and the target of action was screened by Pubchem database and Swiss Target Prediction database; Retrieve Ischemic Stroke disease gene targets from GeneCards database, OMIM, and TTD database; Protein interaction network analysis, KEGG and GO enrichment analysis were performed on the standardized active ingredient targets and disease target genes after crossing using String database, Cytoscape 3.9.0 software, David database and bioinformatics platform. Apply an auxiliary platform for molecular docking verification and visualize the results using PyMOL software. Results: Through network pharmacology screening, 1 133 effective active ingredient targets and 667 disease target genes were identified for the treatment of IS in the Twenty Five Flavored Coral Pill. A total of 177 potential target genes were identified through intersection mapping. After data topology analysis, the top 3 core components with the highest degree values were identified as TP53, SRC, and AKT1. Functional and pathway enrichment analysis indicated that the biological processes (BP) mainly involved responses to hypoxia, positive regulation of phosphatidylinositol 3-kinase/protein kinase B signaling, and negative regulation of gene expression. The cellular components (CC) mainly involved the plasma membrane, cell surface, extracellular space, and extracellular region. Molecular function (MF) involves enzyme binding, identical protein binding, protein binding, and so on. KEGG pathway enrichment involves AGE-RAGE signaling pathway in diabetic complications, Pathways in cancer, Proteoglycans in cancer, HIF-1 signaling pathway, Lipid and atherosclerosis etc. Four key components (kaempferol, beta-sitosterol, quercetin, isorhamnetin) were selected for molecular docking with the four core components (TP53, SRC, AKT1, TNF). The results showed that the key component has strong binding ability with the core target. Molecular function (MF) involves enzyme binding, identical protein binding, protein binding, and so on. KEGG pathway enrichment involves AGE-RAGE signaling pathway in diabetic complications, the Pathways in cancer,the HIF-1 signaling pathway, the lipid and atherosclerosis. Four key components (kaempferol, beta-sitosterol, quercetin, isorhamnetin) were selected for molecular docking with the four core components (TP53, SRC, AKT1, TNF). Conclusion: Network pharmacology research has preliminarily elucidated that the Tibetan medicine Twenty Five Flavored Coral Pills has multiple effective ingredients; meanwhile, the key component has a strong binding ability with the core target. and can exert synergistic therapeutic effects through multiple targets and pathways.
