To Explore the Anti-arrhythmia Mechanism of Mahuang Fuzi Xixin Decoction based on Network Pharmacology and Molecular Docking
Objective:To explore the anti-arrhythmic mechanism of Mahuang Fuzi Xixin Decoction using network pharmacology methods and to perform preliminary verification using molecular docking technology.Methods:The TC-SMP database was retrieved to obtain the drug targets of Mahuang Fuzi Xixin Decoction.The OMIM,Drug Bank,Gen-eCards,and TTD databases were retrieved to obtain disease targets of arrhythmia.The protein interaction network of the common targets of the two was constructed using the STRING platform,and the key target information was obtained after topological analysis.At the same time,the"traditional Chinese medicine-active ingredients-key targets-disease"relationship network was constructed.The GO function and KEGG pathway enrichment analysis of the intersection targets were performed using the Metascape platform.Molecular docking and visualization were performed using Auto-DuckTool and Pymol software.Results:A total of 51 active ingredients of traditional Chinese medicine were obtained,252 corresponding targets,1650 disease targets were obtained,and 118 core targets were screened,mainly including IL6,AKT1,TNF,IL1B,etc.GO gene function enrichment analysis showed that it was related to the positive regulation of circulatory system processes and cell movement;KEGG analysis obtained 203 related channels,mainly involving PI3K-Akt,cGMP-PKG and other pathways.Molecular docking showed that there was good binding activity between the components and the targets.Conclusion:Mahuang Fuzi Xixin Decoction has the characteristics of multiple components and multiple targets,and can exert anti-arrhythmic effects through multiple pathways.
万方数据
维普
