中医临床研究2026，Vol.18Issue(5)：39-50,12.DOI:10.3969/j.issn.1674-7860.2026.05.006
基于网络药理学及分子对接探讨经方华盖散治疗支气管哮喘的作用机制研究
Mechanistic study of Hua Gai San in the treatment of bronchial asthma based on network pharmacology and molecular docking
摘要
Abstract
Objective:To investigate the therapeutic mechanism of the classic formula Huagai San(华盖散)in treating bronchial asthma through network pharmacology and molecular docking.Methods:Active components and targets of Huagai San were identified using TCMSP and HERB databases.Bronchial asthma-related targets were obtained from GeneCards,OMIM,TTD,and PharmGKB databases.Venn diagrams were employed to identify overlapping targets between Huagai San's active components and asthma-related targets.A"drug-component-target-disease"interaction network was constructed using Cytoscape 3.9.1.Overlapping targets were imported into the STRING database for protein-protein interaction(PPI)network analysis.Core targets and networks were analyzed and screened using CytoNCA and CytoHubba plugins in Cytoscape.Gene Ontology(GO)functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed using the David platform.A"prescription-pathway-target-disease"interaction network was established in Cytoscape 3.9.1.Molecular docking was conducted using AutoDock Vina,with visualization performed via ChimeraX.Results:The study identified 352 potential targets of Huagai San and 2 303 asthma-related targets,with 196 overlapping targets identified through intersection analysis.PPI network screening revealed core targets including TNF,IL-6,MMP9,STAT3,and AKT1.GO functional enrichment analysis identified 326 biological processes,21 cellular components,and 45 molecular functions.KEGG pathway enrichment analysis identified 135 pathways,primarily involving IL-17 signaling,JAK-STAT signaling,MAPK signaling,and Toll-like signaling.Molecular docking results showed binding energies predominantly below-5.0 kcal/mol(1 kcal/mol≈4.18 kJ/mol),indicating stable interactions between key active components and core targets.Conclusion:Huagai San may exert therapeutic effects on bronchial asthma by regulating targets such as TNF,IL-6,and MMP9 through components including quercetin,kaempferol,β-sitosterol,luteolin,and hesperidin,while modulating IL-17 signaling and JAK-STAT signaling pathways.These findings provide scientific evidence for further investigation into the active components and pharmacological mechanisms of this classical Chinese medicine in asthma treatment.关键词
华盖散/支气管哮喘/网络药理学/分子对接Key words
Huagai San/Bronchial asthma/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
崔新蕊,金子涵,李一帆,刘伟..基于网络药理学及分子对接探讨经方华盖散治疗支气管哮喘的作用机制研究[J].中医临床研究,2026,18(5):39-50,12.基金项目
海河实验室科研项目(LW20250102) （LW20250102）
天津中医药大学第二附属医院薪火相传骨干人才(津中医二附政发[2023]50号). （津中医二附政发[2023]50号）
