[1]武蕊,史阳,张嘉雯,等.苓甘五味姜辛汤治疗支气管哮喘的网络药理学和分子对接研究[J].西部中医药,2025,38(02):59-67.[doi:10.12174/j.issn.2096-9600.2025.02.15]
　WU Rui,SHI Yang,ZHANG Jiawen,et al.Network Pharmacology and Molecular Docking Analysis of Linggan Wuwei Jiangxin Tang in the Treatment of Bronchial Asthma[J].Western Journal of Traditional Chinese Medicine,2025,38(02):59-67.[doi:10.12174/j.issn.2096-9600.2025.02.15]
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苓甘五味姜辛汤治疗支气管哮喘的网络药理学和分子对接研究()
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《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年02期
页码:
59-67
栏目:
二次研究
出版日期:
2025-02-15

文章信息/Info

Title:
Network Pharmacology and Molecular Docking Analysis of Linggan Wuwei Jiangxin Tang in the Treatment of Bronchial Asthma
作者:
武蕊1, 史阳1, 张嘉雯1, 贺园莉1, 李猛2
1.陕西中医药大学，陕西 咸阳 712046
2.陕西省中医医院，陕西 西安 710004
Author(s):
WU Rui1, SHI Yang1, ZHANG Jiawen1, HE Yuanli1, LI Meng2
1.Shaanxi University of Chinese Medicine, Xianyang 712046, China
2.Shaanxi Provincial TCM Hospital, Xi’an 710004, China
关键词:
支气管哮喘; 苓甘五味姜辛汤; 网络药理学; 分子对接
Keywords:
bronchial asthma; network pharmacology; molecular docking
分类号:
R256.12
DOI:
10.12174/j.issn.2096-9600.2025.02.15
文献标志码:
A
摘要:
目的运用网络药理学和分子对接方法探讨苓甘五味姜辛汤治疗支气管哮喘的作用机制。 方法通过中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）筛选苓甘五味姜辛汤中5种中药活性成分及靶点；利用人类基因数据库（the human gene database，GeneCards）、在线人类孟德尔遗传数据库（online mendelian inheritance in man，OMIM）以及DisGeNeT、Drugbank数据库筛选支气管哮喘的相关靶点，取药物与疾病交集靶点，制作韦恩图；利用STRING 11.5分析交集靶点蛋白-蛋白互作（protein-protein interactions，PPI）关系，并通过Cytoscape 3.8.2构建PPI网络，应用MCODE插件进行蛋白质功能聚类分析；运用Metascape进行基因本体论（gene ontology，GO）和京都基因与基因组百科全书（kyoto encyclopedia of genes and genomes，KEGG）富集分析；通过Cytoscape 3.8.2构建“药物活性成分-靶点-通路”网络；利用Analyze Network分析得到药物核心成分与核心靶点，并采用AutoDock vina进行核心成分与关键靶点的分子对接验证。 结果共筛选得到苓甘五味姜辛汤126个活性成分，对应169个靶点，支气管哮喘相关靶点3484个，取交集后得到共同靶点112个；网络拓扑分析获得MAPKs、AKT1、RELA、JUN、PRKCA、BCL2等13个关键靶点，得到山柰酚、常春藤苷配基、β-谷甾醇、柚皮素等7个核心成分；KEGG通路富集分析显示主要涉及AGE-RAGE、IL-17、PI3K/AKT、cAMP、雌激素、Ca2+、HIF-1等信号通路。分子对接结果显示主要活性成分与关键靶点均有较强结合性。 结论苓甘五味姜辛汤通过多成分、多靶点、多通路治疗支气管哮喘，其作用机制可能与MAPKs、AKT1、RELA、JUN、PRKCA、BCL2等靶点调控AGE-RAGE、IL-17、PI3K/AKT、cAMP、雌激素、Ca2+、HIF-1等信号通路有关。
Abstract:
ObjectiveTo explore the mechanism of treating bronchial asthma (BA) with Linggan Wuwei Jiangxin Tang using network pharmacology and molecular docking. MethodsThe active components and the targets of Linggan Wuwei Jiangxin Tang were searched by TCMSP, and BA-related targets were screened by GeneCards, OMIM, DisGeNeT and Drugbank database, to draw Venn diagram after intersecting the targets of medicine with disease targets. STRING 11.5 was used to analyze protein-protein interactions (PPI) network, Cytoscape 3.8.2 was applied to construct PPI network, and cluster analysis of the protein was carried out using MCODE plug-in; Metascape was used for enrichment analysis of GO and KEGG; the network of "active ingredients of the herbs-targets-pathways" was built via Cytoscape 3.8.2; the core ingredients and core targets of the medicine were obtained using Analyze Network, molecular docking of the core ingredients and key targets were validated using AutoDock vina. ResultsThe study has yielded 126 active components, corresponding to 169 targets, 3484 BA-related targets, and 112 shared targets after the interaction; 13 key targets including MAPKs, AKT1, RELA, JUN, PRKCA, BCL2 and others were analyzed by network topology, obtaining seven core ingredients including Kaempferol, iviglycoside ligand, β-sitosterol and naringin; KEGG pathway enrichment analysis mainly involved AGE-RAGE, IL-17, and PI3K/Akt, cAMP, estrogen, Ca2+, HIF-1 and other signaling pathways. The molecular docking results showed that the main active ingredients had strong binding with key targets. Conclusion Linggan Wuwei Jiangxin Tang could treat BA via many ingredients, many targets and many pathways, and its mechanism might be related to the regulation of AGE-RAGE, IL-17, and PI3K/Akt, cAMP, estrogen, Ca2+, HIF-1 and other signaling pathways via MAPKs, AKT1, RELA, JUN, PRKCA, BCL2 and other targets.

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备注/Memo

备注/Memo:
武蕊（1992—），女，硕士学位，主治医师。研究方向：呼吸系统疾病的中医诊治。陕西省科技厅重点研发计划（2017ZDXM-SF-109）。
更新日期/Last Update: 2025-02-15