摘要
目的:研究利用网络药理学方法探索通窍活血汤在治疗肺癌转移中的潜在靶点及其作用机制,并通过分子对接技术进行分析,以揭示其治疗肺癌转移的机制。方法:利用BATMAN和TCMSP数据库筛选通窍活血汤中的活性成分及其潜在靶点,借助GeneCards、OMIM和TTD数据库挖掘与肺癌转移相关的基因。将筛选出的疾病相关基因与通窍活血汤的靶点进行比对,找出二者之间的交集。对交集基因进行基因本体论(GO)富集分析和京都基因与基因组百科全书(KEGG)富集分析。对核心靶点进行生存分析,评估其在肺癌转移中的潜在作用。最后,利用分子对接技术预测关键靶标与通窍活血汤活性化合物之间的结合能力,为后续研究提供理论依据。结果:确定了244个与肺癌转移相关的通窍活血汤靶点,其中11个为核心靶点,包括前列腺素氧化环化酶2(Prostaglandin-endoperoxide Synthase 2,PTGS2)、RELA癌基因(RELA Proto-oncogene,RELA)、热休克蛋白90α家族A类成员1(Heat Shock Protein 90 Alpha Family Class A Member 1,HSP90AA1)等,涉及细胞对异生物质的反应、激素反应、脂质代谢等生物过程。通窍活血汤主要通过癌症通路、脂质与动脉粥样硬化、磷脂酰肌醇3激酶-蛋白激酶B(Phosphatidylinositol 3 Kinase-Akt,PI3K-Akt)信号通路等关键信号通路发挥作用。分子对接结果显示,PTGS2与5个主要小分子化合物之间存在高度的结合亲和力,提示这些成分可能通过影响关键通路调控肺癌的转移。结论:通窍活血汤通过其活性成分影响与肺癌转移密切相关的多个核心靶点和关键通路,显示出抑制肺癌转移的潜力。这些发现为通窍活血汤的临床应用提供了理论依据,但仍需进一步的实验验证以明确其具体机制。
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.
出处
《中医临床研究》
2025年第30期1-9,共9页
Clinical Journal Of Chinese Medicine
基金
2021年度中医药科研专项课题(2021MS539)
成都中医药大学附属医院2022年科技发展基金(22XZ06)。
关键词
通窍活血汤
肺癌转移
网络药理学
分子对接
The Tongqiao Huoxue decoction
Metastatic lung cancer
Network Pharmacology
Molecular docking
