中医临床研究2026，Vol.18Issue(6)：43-54,12.DOI:10.3969/j.issn.1674-7860.2026.06.009
基于网络药理学与分子对接的苓甘五味姜辛汤治疗慢性阻塞性肺疾病潜在机制研究
Study on the potential mechanism of Linggan Wuwei Jiangxin decoction in the treatment of chronic obstructive pulmonary disease based on network pharmacology and molecular docking
摘要
Abstract
Objective:To study the potential molecular mechanism of the Linggan Wuwei Jiangxin decoction(苓甘五味姜辛汤)for chronic obstructive pulmonary disease(COPD)through the integrated approach of network pharmacology and molecular docking.Methods:The drug target information of the Linggan Wuwei Jiangxin decoction was retrieved from the TCMSP database using the Strawberry Perl programming language.COPD-related target information was retrieved from five major disease databases:GeneCards,OMIM,DisGeNET,PharmGKB,TTD,and DrugBank.After standardizing the target genes nomenclature via the UniProt database,R language was employed to conduct intersection analysis on the target genes of diseases and drugs.A protein-protein interaction(PPI)network was constructed on the STRING platform,and topological graphs of intersecting target genes as well as"component-target-pathway"networks were built using Cytoscape 3.10.3 software.Key components were screened out through topological analysis.Molecular docking between ligands and receptors was completed and analyzed on the AutoDock Vina software platform.Results:This study showed that the formula targeted and regulated CCL2,CXCL8,IFNG,IL-1β,IL-6,TNF and other related factors through flavonoids(such as quercetin,kaempferol and naringenin),isoflavone derivatives(7-methoxy-2-methylisoflavones)and sterols(β-sitosterol),and mainly regulated signaling pathways such as AGE-RAGE,IL-17,TNF,etc.,and exerted anti-inflammatory and antioxidant effects,alleviated fibrosis,and inhibited apoptosis.The molecular docking results showed that quercetin had the lowest free binding energy with TNF,followed by kaempferol with TNF and 7-methoxy-2-methyl isoflavone with TNF,which confirmed that the core components of the formula had good binding affinity with the target proteins.Conclusion:This study elucidates the mechanism of the Linggan Wuwei Jiangxin decoction in the treatment of COPD through network pharmacology and molecular docking,and provides a scientific basis for the modernization of traditional prescriptions via multi-component,multi-target,and multi-pathway mode.关键词
网络药理学/分子对接/慢性阻塞性肺疾病/苓甘五味姜辛汤Key words
Network pharmacology/Molecular docking/Chronic obstructive pulmonary disease/The Linggan Wuwei Jiangxin decoction分类
医药卫生引用本文复制引用
陈雨昂,刘自立,陈瑞丽,潘婷婷,刘昕..基于网络药理学与分子对接的苓甘五味姜辛汤治疗慢性阻塞性肺疾病潜在机制研究[J].中医临床研究,2026,18(6):43-54,12.基金项目
贵州省科技计划厅项目(黔科合支撑[2021]一般011) （黔科合支撑[2021]一般011）
贵州中医药大学研究生教育创新计划项目(研究生科研基金项目)(YCXKYS2025014). （研究生科研基金项目）
