中医临床研究2025，Vol.17Issue(16)：1-8,8.DOI:10.3969/j.issn.1674-7860.2025.16.001
基于生物信息学探讨"扶正通络"法治疗新型冠状病毒感染机制研究
The mechanism of the"Fuzheng Tongluo"therapy in the treatment of COVID-19 based on bioinformatics
摘要
Abstract
Objective:To explore the effective components and action mechanisms of Huangqi(Radix Astragali),Danggui(Radix Angelicae Sinensis),Taoren(Semen Persicae),and Dilong(Lumbricus),the Fuzheng Tongluo therapy(扶正通络法)in treating corona virus disease 2019(COVID-19)using bioinformatics.Methods:The effective components and target genes of Huangqi,Danggui,Taoren and Dilong were obtained from bioinformatics databases.Potential target genes related to COVID-19 were collected from GeneCards,DrugBank,and OMIM databases.Key components and target genes were screened by the online Venny website,the STRING database,and Cytoscape software.Analyses of"Chinese medicine-complex component-target gene"network and protein-protein interaction(PPI)network were conducted,and core target genes were selected based on degree values.GO function annotation and KEGG pathway enrichment analyses were performed on the core target genes.Finally,the binding interactions between the core components and target genes were evaluated using molecular docking and molecular dynamics.Results:A total of 64 effective components and 683 target genes were screened,including 5 core target genes:TNF,IL-6,IL-1B,AKT1,and TP53.The GO analysis results indicated positive regulation of phosphorus metabolic processes and other biological processes,while the KEGG analysis primarily identified pathways such as the coronavirus-COVID-19 pathway.The molecular docking results suggested that compounds such as kaempferol,isoflavanone could spontaneously bind to core targets such as TNF.Molecular dynamics validation indicated that kaempferol and TNF exhibited stable binding energy.Conclusion:The representative Chinese medicines of the Fuzheng Tongluo method may regulate the virus,inflammation,and clotting related pathways and biological processes through the combination of the main active ingredients such as kaempferol,(R)-isomucronulatol,quercetin,isoflavanone,and kumatakenin with the core targets such as TNF,IL-6,IL-1B,AKT1 and TP53,so as to play a role in the treatment of COVID-19.关键词
扶正通络/新型冠状病毒感染/网络药理学/分子对接/分子动力学Key words
Fuzheng Tongluo therapy/COVID-19/Network pharmacology/Molecular docking/Molecular dynamics分类
医药卫生引用本文复制引用
武美彤,吴振起,李美琪,张希宁,李骄昌,周振华,顾邺心..基于生物信息学探讨"扶正通络"法治疗新型冠状病毒感染机制研究[J].中医临床研究,2025,17(16):1-8,8.基金项目
国家自然科学基金面上项目(81373687 （）
81874490 （）
82074494). （）
