实用中医内科杂志2025，Vol.39Issue(5)：23-26,后插9-后插11,7.DOI:10.13729/j.issn.1671-7813.Z20241195
基于网络药理学和分子对接技术探讨百合固金汤治疗支原体肺炎的作用机制
Mechanism Analysis on Baihe Gujin Decoction(百合固金汤)in Treatment of Mycoplasma Pneumonia Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To investigate the mechanism of action of Baihe Gujin Decoction(百合固金汤)in the treatment of my-coplasma pneumoniae(MPP)based on network pharmacology and molecular docking technology.Methods The effective active in-gredients and targets of Baihe Gujin Decoction were counted and screened through Traditional Chinese Medicine SystemsPharma-cology Database and Analysis Platform(TCMSP),Batman-TCM and other databases,and the disease targets related to mycoplas-ma pneumoniae pneumonia were retrieved through Gene Cards,Drugbank and CTD databases.Using the Venn diagram,the ob-tained component targets were intersected with the MPP disease targets to obtain the intersection genes.Cytoscope3.10.2 soft-ware was used to construct the"drug-active ingredient-target"network diagram and analyze the core targets,and the PPI net-work was constructed to screen key proteins.Metascape database and the bioinformatics were used to perform Kyoto Encyclopedia of Genes and Genomes(KEGG)and Gene Ontology(GO)pathway enrichment analysis of the intersecting target genes,and the enrichment bubble map and histogram were obtained.Finally,the molecular docking was carried out through Autodock software to explore the interaction between key components and core targets.Results A total of 133 effective active ingredients,including 650 potential targets,454 MPP disease targets and 99 intersection genes,were screened from Baihe Gujin Decoction.Among them,the key active ingredients such as stigmasterol,γ-aminobutyric acid,β-sitosterol,quercetin,kaempferol and targets such as tumor necrosis factor(TNF),interleukin(IL)6,tumor protein p53(TP53),protein kinase B(AKT1)and JUN play a key role in the en-tire network.Molecular docking showed good binding activity of key active ingredients and core targets.Conclusion The potential mechanism of Baihe Gujin Decoction in the treatment of MPP may be to exert anti-inflammatory,antiviral and immunomodulato-ry effects by regulating the signaling pathways of diabetic complications such as advanced glycosylation end(AGE)-Receptor For Advanced Glycation End Products(RAGE),nuclear factor-κB(NF-κB)and hypoxia inducible factor-1(HIF-1).关键词
百合固金汤/支原体肺炎/网络药理学/分子对接/作用机制Key words
Baihe Gujin Decoction(百合固金汤)/mycoplasma pneumonia/network pharmacology/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
王红涛,赵克明..基于网络药理学和分子对接技术探讨百合固金汤治疗支原体肺炎的作用机制[J].实用中医内科杂志,2025,39(5):23-26,后插9-后插11,7.基金项目
国家中医药管理局项目(2023ZYLCYJ05-02) （2023ZYLCYJ05-02）
