中医临床研究2025，Vol.17Issue(30)：1-9,9.DOI:10.3969/j.issn.1674-7860.2025.30.001
基于网络药理学和分子对接技术揭示通窍活血汤抑制肺癌转移作用机制
Elucidating the mechanism of the Tongqiao Huoxue decoction in inhibiting metastatic lung cancer based on network pharmacology and molecular docking
摘要
Abstract
Objective:This study aims to explore the potential targets and action mechanisms of the Tongqiao Huoxue decoction(通窍活血汤)in the treatment of metastatic lung cancer using network pharmacology,and to analyze its therapeutic mechanisms through molecular docking technology.Methods:The active components and their potential targets in the Tongqiao Huoxue decoction were screened using the BATMAN and TCMSP databases.Meanwhile,genes related to lung cancer metastasis were identified through the GeneCards,OMIM,and TTD databases.The screened disease-related genes were compared with the targets of the Tongqiao Huoxue decoction to obtain the intersection genes.The intersection genes were enriched by Gene Ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG).Survival analysis was performed on these core targets to assess their potential roles in metastatic lung cancer.Finally,molecular docking technology was used to predict the binding affinity between key targets and active compounds of the Tongqiao Huoxue decoction,providing theoretical evidence for subsequent research.Results:A total of 244 targets related to metastatic lung cancer were identified in the Tongqiao Huoxue decoction,of which 11 were core targets,including PTGS2,RELA,and HSP90AA1.These targets involved in biological processes such as cellular response to xenobiotics,hormone response,and lipid metabolism.The Tongqiao Huoxue decoction primarily exerts its effects through key signaling pathways such as pathways in cancer,lipid and atherosclerosis,and PI3K-Akt signaling pathway.Molecular docking results showed high binding affinity between PTGS2 and five major small-molecule compounds,suggesting that these components might regulate metastatic lung cancer by influencing key pathways.Conclusion:The Tongqiao Huoxue decoction exerts its anti-metastatic effects on lung cancer by affecting multiple core targets and key pathways closely related to metastatic lung cancer through its active components.These findings provide a theoretical basis for the clinical application of the Tongqiao Huoxue decoction,but further experimental validation is needed to clarify its specific mechanisms.关键词
通窍活血汤/肺癌转移/网络药理学/分子对接Key words
The Tongqiao Huoxue decoction/Metastatic lung cancer/Network Pharmacology/Molecular docking分类
医药卫生引用本文复制引用
邹光玲,肖玮..基于网络药理学和分子对接技术揭示通窍活血汤抑制肺癌转移作用机制[J].中医临床研究,2025,17(30):1-9,9.基金项目
2021年度中医药科研专项课题(2021MS539) （2021MS539）
成都中医药大学附属医院2022年科技发展基金(22XZ06). （22XZ06）
