甘肃中医药大学学报2026，Vol.43Issue(3)：28-38,11.DOI:10.16841/j.issn1003-8450.2026.03.04
基于网络药理学和分子对接技术探讨补肺活血方治疗慢性阻塞性肺疾病的作用机制
Exploration of the mechanism of Bufei Huoxue Fang(补肺活血方)in treating chronic obstructive pulmonary disease based on network pharmacology and molecular docking
摘要
Abstract
Objective To investigate the mechanism of Bufei Huoxue Fang(补肺活血方,BFHXF)in treating chronic obstructive pulmonary disease(COPD)using network pharmacology and molecular docking techniques.Methods Active components of BFHXF were screened via the Traditional Chinese Medicine Systems Pharmacolo-gy Database and Analysis Platform(TCMSP),Traditional Chinese Medicine Integrated Database(TCMID),and the Pharmacopoeia of the People's Republic of China(Part Ⅰ,2025 Edition).Potential targets of these components were predicted using SwissTargetPrediction.COPD-related disease targets were retrieved from the GeneCards,On-line Mendelian Inheritance in Man(OMIM),ChEMBL,Human Phenotype Ontology(HPO),and DrugBank data-bases,and overlapping targets were obtained by intersecting component targets and disease targets.A"drug-com-pound-shared target"network was constructed using Cytoscape 3.10.1.Shared targets were imported into the STRING database to build a protein-protein interaction(PPI)network,and topological structure analysis was per-formed to screen key targets.Meanwhile,Gene Ontology(GO)functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were conducted using the Metascape database,and a"key pathway-target"network was constructed with Cytoscape.Finally,molecular docking was performed between core components and targets.Results A total of 49 active components and 579 corresponding targets were identified in BFHXF.A total of 5078 COPD-related disease targets were retrieved,and 422 overlapping targets were obtained after intersec-tion.Based on the"drug-compound-shared target"network,the top 5 core active components ranked by Degree value were isoflavanone,jaranol,wogonin,(R)-isomucronulatol,and isobavachin.The core targets of BFHXF were AKT1,EGFR,and SRC.KEGG enrichment analysis showed that the signaling pathways of BFHXF in treating COPD were mainly concentrated in interleukin(IL)-17,gonadotropin-releasing hormone(GnRH),and thyroid hormone pathways.Molecular docking experiments confirmed strong binding ability between the above core active components and core targets.Conclusion BFHXF exerts its effects on the pathological process of COPD through multiple components acting on core targets such as AKT1,EGFR,and SRC,regulating multiple signaling pathways including IL-17 and thyroid hormone.It provides a synergistic intervention in various aspects such as anti-inflammation,anti-oxidation,and airway remodeling,offering a theoretical basis for its clinical application and new drug development.关键词
慢性阻塞性肺疾病/补肺活血方/网络药理学/分子对接/作用机制Key words
chronic obstructive pulmonary disease(COPD)/Bufei Huoxue Fang(补肺活血方)/network phar-macology/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
孔玉洁,李待军,罗飞,卢瑞杰,侯俊杰,张志红,黄燕,张兆芳..基于网络药理学和分子对接技术探讨补肺活血方治疗慢性阻塞性肺疾病的作用机制[J].甘肃中医药大学学报,2026,43(3):28-38,11.基金项目
甘肃省自然科学基金项目(23JRRA1623) （23JRRA1623）
甘肃省中医药管理局重大专项(GZKZ-2025-45). （GZKZ-2025-45）
