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.
