中医临床研究2025，Vol.17Issue(19)：35-44,10.DOI:10.3969/j.issn.1674-7860.2025.19.005
基于网络药理学及分子对接探讨强心康颗粒治疗慢性心力衰竭的作用机制
Exploring the action mechanism of the Qiangxinkang granules on chronic heart failure based on network pharmacology and molecular docking
摘要
Abstract
Objective:To explore the action mechanism of the Qiangxinkang granules(强心康颗粒)in the treatment of chronic heart failure(CHF)by network pharmacology and molecular docking.Methods:Through traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),the active components and action targets of each Chinese medicines in the Qiangxinkang granules were screened with the criteria of oral bioavailability≥30%and drug-likeness≥0.18.Meanwhile,the targets of CHF were obtained from databases such as the GeneCards database.The disease targets were standardized by UniProt database.The intersection targets of the two were taken to obtain the therapeutic targets,and the Venn diagram was drawn.The interaction network of the therapeutic targets was constructed by the STRING database.The CytoNCA plugin of Cytoscape 3.9.1 was used for network topology analysis to screen the core targets and potential key components.The signaling pathway enrichment analysis of the core targets was carried out by the DAVID platform.The molecular docking software AutoDock and the visualization tool ChimeraX were applied to verify the molecular docking binding energies of the key components and key action targets.Results:A total of 126 active components and 252 drug targets were identified for the Qiangxinkang granules.After intersecting with CHF-related disease targets(14 405 targets),246 therapeutic targets of the Qiangxinkang granules on CHF were obtained.Through network topology analysis,6 core targets and 7 potential key components were determined.DAVID analysis showed that the core targets were significantly enriched in lipid and atherosclerosis,AGE-RAGE signaling pathway,MAPK signaling pathway,and apoptosis-related pathway.The molecular docking indicated that 7 key components such as quercetin,kaempferol,and luteolin had good binding activities with 6 core targets including MAPK1 and AKT1.Conclusion:The Qiangxinkang granules regulate the pathological process of CHF through the synergistic effect of multiple targets.Its action mechanisms involve energy metabolism,oxidative stress,improvement of myocardial cell dysfunction,etc.It plays a role by intervening in the atherosclerotic process,and inhibiting myocardial fibrosis and cell apoptosis and other pathological links,elaborating the action mode of multi-component synergistic regulating multiple mechanisms of Chinese medicine compound prescriptions in the treatment of CHF.关键词
慢性心力衰竭/强心康颗粒/作用机制/网络药理学/分子对接Key words
Chronic heart failure/The Qiangxinkang granules/Action mechanism/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
翁文仪,张晓华,郭文军,刘淑荣..基于网络药理学及分子对接探讨强心康颗粒治疗慢性心力衰竭的作用机制[J].中医临床研究,2025,17(19):35-44,10.基金项目
吉林省发改委2024年省预算内基本建设资金-产业技术研究与开发项目(2024C012-5). （2024C012-5）
