基于网络药理学和分子对接技术探讨茜草-北沙参药对治疗肺癌的作用机制  

Exploring the mechanism of Rubia cordifolia-Glehnia littoralis in the Treatment of lung cancer based on network pharmacology and Molecular docking technology

作　　者：贺鹏程 唐耀华 肖先君 刘致远 马静茹 符乐瑶 姚嘉康 张伟 He Pengcheng;Tang Yaohua;Xiao Xianjun(School of Basic Medical Sciences,Xiangnan University,Chenzhou,Hunan 423000,China)

机构地区：[1]湘南学院基础医学院,湖南郴州423000 [2]湘南学院护理学院,湖南郴州423000 [3]湘南学院化学与环境科学学院,湖南郴州423000

出　　处：《湘南学院学报(医学版)》2024年第4期16-22,共7页Journal of Xiangnan University(Medical Sciences)

基　　金：国家级大学生创新创业训练计划项目(S202410545022);湖南省大学生创新创业训练计划项目(湘教通〔2024〕191号-4807)。

摘　　要：目的运用网络药理学和生物信息学的方法,探讨茜草-北沙参药对在肺癌治疗中的潜在靶点及其分子的作用机制。方法通过TCMSP数据库筛选茜草-北沙参药对的活性成分及其靶点,并利用Uniprot数据库进行靶点标准化处理;通过DisGeNET和GeneCards数据库获取肺癌相关靶点,去重后进行整合;采用Venny平台和Cytoscape 3.9.1软件构建成分-疾病-靶点网络;通过PPI、GO及KEGG富集分析筛选关键靶点及信号通路;结合分子对接技术,分析药物与核心靶点的结合模式,进一步通过GEPIA数据库分析相关靶点的表达与肺癌患者预后的关系。结果共筛选出18种活性成分和1328个肺癌相关靶点,其中5种核心成分和10个核心靶点(如TP53、AKT1等)显示出较强的关联性。这些靶点主要富集于MAPK、TNF等关键信号通路。分子对接分析表明,核心成分与核心靶点之间存在较好的结合亲和力。GEPIA2数据库分析结果显示,BCL2、PTGS2等基因与肺癌患者的预后密切相关,低表达BCL2或PTGS2的患者预后较好(P<0.05),可能是茜草-北沙参药对治疗肺癌的潜在作用靶点。结论茜草-北沙参药对可能通过调控多个信号通路,调节细胞的增殖、凋亡、侵袭和炎症反应等生物学过程,从而发挥其抗肺癌的作用。Objective To investigate the potential targets and molecular mechanisms of the Rubia cordifolia-Glehnia littoralis in the treatment of lung cancer by using network pharmacology and bioinformatics methods.Methods The active ingredients and targets of the Rubia cordifolia-Glehnia littoralis were screened by TCMSP database,and the targets were standardized using Uniprot database;the target related to lung cancer were obtained from DisGeNET and GeneCards databases and integrated after de-emphasis;the ingredient-disease-target network was constructed by using Venny platform and Cytoscape 3.9.1 software.The key targets and signaling pathways were screened by PPI,GO,and KEGG enrichment analyses;combined with molecular docking technology,the binding patterns of drugs and core targets were analyzed,and the relationship between the expression of relevant targets and the prognosis of lung cancer patients was further analyzed by GEPIA data base.Results A total of 18 active incredients and 1328 lung cancer-related targets were screened,among which 5 core ingredients and 10 core targets(such as TP53,AKT1,etc)showed strong association.These targets were mainly enriched in key signaling pathways such as MAPK and TNF.Molecular docking analysis showed that there was a better binding affinity between core ingredients and the core targets.The results of GEPIA2 database analysis showed that genes such as BCL2 and PTGS2 were significantly associated with lung cancer prognosis,and patients with low expression of BCL2 or PTGS2 had a better prognosis(P<0.05),which may be a potential target of the action of the Rubia cordifolia-Glehnia littoralis in the treatment of lung cancer.Conclusion The Rubia cordifolia-Glehnia littoralis may exert its anti-lung cancer effect by regulating biological processes such as cell proliferation,apoptosis,invasion,and inflammation response through the modulation of multiple signaling pathways.

关 键 词：茜草 北沙参 肺癌 网络药理学 分子对接技术 

分 类 号：R285[医药卫生—中药学]