中医临床研究2025，Vol.17Issue(18)：1-11,11.DOI:10.3969/j.issn.1674-7860.2025.18.001
基于益气活血利水法运用网络药理学和分子对接探讨黄芪-丹参-茯苓配伍治疗慢性心力衰竭的作用机制
The action mechanism of Huangqi-Danshen-Fuling in the treatment of chronic heart failure by the benefiting Qi,promoting blood circulation and dispelling dampness method based on network pharmacology and molecular docking
摘要
Abstract
Objective:To investigate the action mechanism of Huangqi(Radix Astragali)-Danshen(Radix et Rhizoma Salviae Miltiorrhizae)-Fuling(Poria)in the treatment of chronic heart failure by the benefiting Qi(气),promoting blood circulation and dispelling dampness method based on network pharmacology and molecular docking.Methods:TCMSP and SwissADME database were used to obtain and screen the active ingredients of Huangqi,Danshen,and Fuling,and Swiss Target Prediction database was used to predict their targets.Disease targets of chronic heart failure were queried in databases such as TTD,OMIM,GeneCards,and DisGeNET,and then were summarized,de-duplicated,and deleted in Excel table to obtain the final disease targets.The intersecting targets of medicine-disease were obtained by Venny 2.1.0 platform,and the Venn diagram was plotted.Cytoscape 3.7.1 software was used to construct medicine-component-target-disease network diagram.STRING database was used to construct protein-protein interaction(PPI)network,and Cytoscape 3.7.1 software was used to screen the core targets.Metascape database was used to conduct GO function and KEGG pathway enrichment analyses.The Bioinformatics platform was used for visualization of the results,and AutoDock 1.5.7 software was used to verify the molecular docking activity between the selected effective active ingredients and the core targets.Results:A total of 72 effective active ingredients of Huangqi-Danshen-Fuling were obtained,among which the core effective active ingredients in the treatment of chronic heart failure were quercetin,kaempferol,tanshinone IIA,tanshin aldehyde,and trametenolic acid.There were a total of 259 medicine-disease intersecting targets,of which 5 core targets were screened out,namely TNF,AKT1,STAT3,JUN,and EGFR.Through GO functional enrichment analysis,2 510 biological processes,144 cell components,and 282 molecular functional items were obtained,and the KEGG pathway enrichment analysis results involved 218 pathways.The molecular docking results showed that ligands had good binding ability with receptors.Conclusion:The Huangqi-Danshen-Fuling tripartite medicines play a therapeutic role in the treatment of chronic heart failure by participating in a variety of regulatory responses through multi-ingredient,multi-target,and multi-pathway.关键词
慢性心力衰竭/黄芪-丹参-茯苓/网络药理学/分子对接Key words
Chronic heart failure/Huangqi-Danshen-Fuling/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
刘梦媛,王东海,宋婷婷..基于益气活血利水法运用网络药理学和分子对接探讨黄芪-丹参-茯苓配伍治疗慢性心力衰竭的作用机制[J].中医临床研究,2025,17(18):1-11,11.基金项目
辽宁省博士科研启动基金项目(2021-BS-047):ABCA1介导与JAK2/STAT3信号通路在化痰泄浊中药中的机理研究. （2021-BS-047）
