中医临床研究2025，Vol.17Issue(4)：8-15,8.DOI:10.3969/j.issn.1674-7860.2025.04.002
基于网络药理学和分子对接的附子、桂枝治疗慢性心力衰竭的作用机制探讨
An analysis of the mechanism of treating chronic heart failure with Fuzi and Guizhi based on network pharmacology and molecular docking
摘要
Abstract
Objective:To analyze the mechanism of Fuzi(Radix Aconiti Lateralis Preparata)and Guizhi(Ramulus Cinnamomi)in the treatment of chronic heart failure(CHF)by network pharmacology,and verifying it with molecular docking technology.Methods:Main active ingredients and targets of Fuzi and Guizhi were collected from the TCMSP and Swiss Target Prediction databases.CHF related proteins were screened by using databases such as OMIM and GeneCards.Cross-compared with drug targets to identify common targets.Using STRING database and Cytoscape software to construct protein-protein interaction(PPI)network.Cytoscape software was used for component-targets-disease topology analysis.Import the core targets which in PPI network into the MetaScape database to obtain GO and KEGG enrichment analysis results.Finally,AutoDock Vina was used for molecular docking validation,and PyMOL was used for visualization processing.Results:The main active ingredients of Fuzhi and Guizhi are deoxyandrographolide,karanjin,2,7-Dideacetyl-2,7-dibenzoyl-taxayunnanine F,β-Sitosterol,etc.The core targets are IL-6,TNF,AKT1,etc.Gene enrichment analysis revealed 1 822 GO functional entries and 177 KEGG pathways.The molecular docking results show that there is a stable binding characteristic between the active ingredient and the core target.Conclusion:The mechanism of Fuzi and Guizhi in the treatment of CHF may involve multiple effective ingredients,these components may affect AKT1,IL-6,TNF and other related targets to treat CHF by regulating multiple signaling pathways such as AGE-RAGE signaling pathway,cancer signaling pathway,lipid and atherosclerosis signaling pathway,PI3K-Akt signaling pathway.关键词
慢性心力衰竭/附子、桂枝/网络药理学/分子对接Key words
Chronic heart failure/Fuzi and Guizhi/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
高秋涵,林燕,齐心聆,施翔,嵇克刚..基于网络药理学和分子对接的附子、桂枝治疗慢性心力衰竭的作用机制探讨[J].中医临床研究,2025,17(4):8-15,8.基金项目
潍坊市嵇克刚名中医药专家传承工作室项目. （）
