摘要
目的:基于整合药理学方法,筛选莪术-冬凌草药对抗癌的有效活性成分,并探讨其分子作用机制。方法:使用中医药整合药理学研究平台V2.0分别筛选莪术和冬凌草的活性成分,使用数据库中疾病相关分子库收集癌症相关靶点,使用VENNY 2.1平台匹配药物和疾病靶点。使用STRING数据库构建药对靶标-疾病靶标相互作用的核心靶点网络图。使用DAVID 6.8数据库分析核心靶标的GO生物学过程和KEGG通路数据。使用数据库中药成分数据库分析药物核心成分ADMET性质。结果:筛选后共收集了174个药物活性成分,共涉及246个靶标,并获得核心靶标191个,取前100个靶标进行分析,结果显示,核心靶标主要作用于细胞代谢、调控、传导等生物过程,富集于癌症、IL-17、TNF、雌激素等信号通路。多维网络和ADMET性质分析显示,药物核心成分可能通过作用于原癌基因c-Abl、丝氨酸/苏氨酸蛋白激酶1、钙调蛋白1、细胞周期蛋白依赖性激酶6、核因子NF-kappa-B p105亚基和前列腺素G/H合酶2来参与癌症通路等信号通路,来发挥抗癌的作用。结论:莪术-冬凌草药对通过多靶点、多途径来发挥抗癌作用,为临床运用提供依据,也为其后续实验研究提供参考。
Objectives To screening the effective active components of Curcumae Rhizoma and Rabdosia rubescens,and discussing the molecular mechanism by the method of integrative pharmacology.Methods Components of Curcumae Rhizoma and Rabdosia rubescens were obtained from the TCMIP V2.0 database.Targets related to cancer were collected by TCMIP V 2.0 diseases database.Drug and Disease targets were matched by VENNY 2.1 platform.The network of PPI was build by STRING 11.0 database.The function analysis of gene ontology(GO)and the enrichment analysis of Kyoto encyclopedia of genes and genomes(KEGG)were carried out with DAVID 6.8 database.The ADMET properties were collected by TCMIP V2.0 ingredients database.Results A total of 174 active compounds and 246 potential target genes,and get the core targets were 191 after screening.The analysis of the top 100 core targets showed that the core targets might mainly act on the biological process of cell metabolism,regulation and conduction,and enrichment in the signaling pathways of cancer、IL-17、TNF and estrogen.The multidimensional network and ADMET properties analysis shows that the core targets might play the role of anticancer by acting on ABL1、AKT1、CALM1、CDK6、NFKB1 and PTGS2 to participate in cancer pathway and other signaling pathways.Conclusion Curcumae Rhizoma and Rabdosia rubescens play the role of anticancer through multi-target and multi-channel,which provides a basis for clinical application and provides a reference of the following experimental research.
作者
王颖
吴群
罗莉
杨柱
龙奉玺
唐东昕
WANG Ying;WU Qun;LUO Li;YANG Zhu;LONG Fengxi;TANG Dongxin(The First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine,Guiyang 550000,China;Guizhou Province inheritance and technological innovation talent base of TCM oncology,Guiyang 550000,China;Guihang Guiyang Hospital,Guiyang 550000,China)
出处
《中国民族民间医药》
2021年第13期57-66,共10页
Chinese Journal of Ethnomedicine and Ethnopharmacy
基金
国家自然科学基金地区科学基金项目(81960818)
贵州省普通高等学校科技拔尖人才支持计划(黔教合KY字[2017]075)
贵阳市科技计划项目(筑科合同[2019]2-18号)。
关键词
莪术
冬凌草
整合药理学
癌症
分子机制
多维网络
Curcumae Rhizoma
Rabdosia Rubescens
Integrative Pharmacology
Cancer
Molecular Mechanism
Multidimensional Network
