中国医药科学2025，Vol.15Issue(16)：104-110,7.DOI:10.20116/j.issn2095-0616.2025.16.21
基于网络药理学和分子对接技术的益肺散结丸治疗肺结节的作用机制研究
Mechanism study of Yifei Sanjie Pill in the treatment of pulmonary nodules based on network pharmacology and molecular docking technology
摘要
Abstract
Objective To investigate the material basis and mechanism of Yifei Sanjie Pill in treating pulmonary nodules using network pharmacology and molecular docking techniques.Methods Chemical components and targets of the herbal constituents in Yifei Sanjie Pill were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Bioinformatics Analysis Platform(TCMSP).Pulmonary nodule-related targets were screened through biomedical databases.A herb-component-target network was constructed,followed by molecular docking and pathway enrichment analysis.Results Fifty-eight active components and 766 potential targets were identified from eight herbs,with 257 overlapping targets associated with pulmonary nodules.Three core components(quercetin,β-sitosterol,and beauvericin)and six key targets(GAPDH,TNF,IL6,AKT1,VEGFA,and TP53)were determined.Molecular docking revealed the strongest binding affinity between β-sitosterol and GAPDH.KEGG enrichment analysis indicated that Yifei Sanjie Pill exerts therapeutic effects primarily through cancer-related pathways,PI3K-Akt,and MAPK signaling pathways.Conclusion This study elucidates the molecular mechanism of Yifei Sanjie Pill in treating pulmonary nodules,demonstrating its multi-component,multi-target,and multi-pathway synergistic therapeutic effects.关键词
肺结节/益肺散结丸/网络药理/分子对接/作用机制Key words
Pulmonary nodules/Yifei Sanjie Pill/Network pharmacology/Molecular docking/Mechanism of action分类
医药卫生引用本文复制引用
林洁涛,杨婷,李晏龙,孙玲玲,綦向军,余玲,林丽珠..基于网络药理学和分子对接技术的益肺散结丸治疗肺结节的作用机制研究[J].中国医药科学,2025,15(16):104-110,7.基金项目
广东省基础与应用基础研究基金项目(2022B1515230003) （2022B1515230003）
国家科技部重点研发计划项目(2022YFC3500203) （2022YFC3500203）
广州市科技计划项目(2023A03J0300 （）
2023B01J1016). （）
