Research on anti-cardiovascular disease mechanism of Buqi Tongluo granules based on network pharmacology and molecular docking
Objective To investigate the pharmacodynamic substance basis and molecular mechanism of Buqi Tongluo granules anti-cardiovascular disease(CVD).Methods Based on the theoretical framework of network pharmacology,the research was carried out in combination with ADME property screening,target prediction,network construction,protein-protein interaction(PPI)analysis,KEGG and GO enrichment analysis.Sybyl-X molecular docking software was used to verify the results of the selected active components and key targets.Results 72 compounds were identified in Buqi Tongluo granules,with 15 possessing favorable ADME properties.10 active ingredients and 26 associated targets were identified as closely related to the anti-CVD activity of Buqi Tongluo granules.Analysis of the"avtive componet-target"network revealed four key compounds and three key targets.KEGG pathway analysis identified seven pathways related to anti-CVD.GO enrichment analysis indicated improved blood circulation as a primary mechanism.Molecular docking experiments demonstrated alignment between key target proteins and corresponding active components.Conclusion Buqi Tongluo granules exert anti-CVD activity through multi-component,multi-target and multi-pathway mechanisms.
万方数据
维普
