| 摘要 |
[Objectives] To investigate the active ingredients and targets of Guanxin No. 3 formula in the treatment of myocardial infarction (MI) through the application of network pharmacology and molecular docking techniques. [Methods] The active ingredients and corresponding targets of Guanxin No. 3 Formula were identified using the TCMSP database, while MI targets were retrieved from the GeneCards and OMIM databases. Following the identification of overlapping targets, a “drug-active ingredient-target” network was constructed. A protein–protein interaction (PPI) network was subsequently established utilizing the STRING database. GO and KEGG enrichment analyses were performed via the DAVID platform. Molecular docking validation was conducted employing AutoDock Vina and PyMOL software. [Results] A total of 124 active ingredients were identified, corresponding to 190 MI-related targets. The key targets included IL6, AKT1, TP53, TNF, IL1B, etc. KEGG pathway enrichment analysis mainly involved lipid and atherosclerosis, and signaling pathways such as TNF, IL-17, HIF-1, and PI3K-Akt. Molecular docking results demonstrated that key ingredients, including luteolin, quercetin, and β-sitosterol, exhibited strong binding affinities with these key targets. [Conclusions] Guanxin No. 3 Formula may exert anti-MI effects by regulating inflammatory responses, inhibiting apoptosis, and promoting angiogenesis via multiple ingredients and targets. |
