摘要
目的基于网络药理学和分子对接探讨黄精治疗非小细胞肺癌的物质基础与分子机制。方法检索中药系统药理学数据库与分析平台筛选黄精活性成分和作用靶点,检索人类孟德尔遗传数据库、人类基因组结构注释数据库和疗效药靶数据库获得非小细胞肺癌靶点,整合成分-疾病共有靶点。应用DAVID数据库进行基因本体和京都基因和基因组数据库通路富集分析,应用Cytoscape 3.6.1软件构建“成分-靶点-通路”网络,应用network analyzer插件分析网络。应用AutoDock 4.2进行分子对接,应用CCK8法、流式细胞术分别研究黄精黄酮的核心成分对A549细胞的体外抗增殖及诱导凋亡作用。结果黄精中8个活性成分通过43个靶点发挥抗非小细胞肺癌作用;主要包括癌症、细胞凋亡、低氧诱导因子-1、肿瘤坏死因子等信号通路;3’-甲氧基大豆苷元、黄芩素、甘草素和5,4’-二羟基黄酮对应7个靶点发挥主要作用;3’-甲氧基大豆苷元、黄芩素、甘草素作用A549细胞48 h的IC_(50)分别是6.88×10、7.99、4.34×10μg/ml;高剂量黄芩素可浓度依赖性诱导A549细胞凋亡。结论黄精中黄酮类化合物通过抑制增殖、诱导凋亡发挥抗非小细胞肺癌作用。
Objective To explore the material basis and molecular mechanism of Rhizoma Polygonati in the treatment of non-small cell lung cancer(NSCLC)based on network pharmacology and molecular docking.Methods The active components and effect targets of Rhizoma Polygonati were searched in traditional Chinese medicine systems pharmacology database and analysis platform,the targets of NSCLC were searched in Online Mendelian Inheritance in Man,Human Genome Annotation database,and Therapeutic Target database,the component-disease common targets were integrated.DAVID database was used for gene ontology and kyoto encyclopedia of genes and genomes pathway enrichment analysis,the network of“component-target-pathway”was constructed by Cytoscape 3.6.1 software,and the network was analyzed by network analyzer plug-in.AutoDock 4.2 was used for molecular docking,CCK8 method and flow cytometry were used for studying the anti-proliferation and apoptosis induced effects of flavone of Rhizoma Polygonati on A549 cells in vitro.Results 8 components in Rhizoma Polygonati exerted anti-NSCLC effects through 43 targets;these mainly included cancer,apoptosis,hypoxia inducible factor-1,tumor necrosis factor and other signaling pathways;3’-methoxydaidzein,baicalein,liquiritigenin,and 5,4’-dihydroxyflavone played major roles corresponding to 7 targets;the IC_(50) of 3’-methox-ydaidzein,baicalein,and liquiritigenin acted on A549 cells for 48 h were 6.88×10,7.99,4.34×10μg/ml respectively;high dose baicalein could induce apoptosis of A549 cells in a concentration-dependent manner.Conclusion Flavonoids in Rhizoma Polygonati could suppress proliferation and induce apoptosis to play the role of anti-NSCLC.
作者
杨嘉妮
朱星枚
袁盼盼
郭凯丽
薛妙
刘继平
王川
王斌
YANG Jiani;ZHU Xingmei;YUAN Panpan;GUO Kaili;XUE Miao;LIU Jiping;WANG Chuan;WANG Bin(Key Laboratory of Pharmacodynamics and Material Basis of Chinese Medicine,Shaanxi Administration of Traditional Chinese Medicine,Shaanxi University of Chinese Medicine,Shaanxi Province,Xianyang 712046,China;Shaanxi Key Laboratory of Traditional Medicine Foundation and New Drug Research,Shaanxi University of Chinese Medicine,Shaanxi Province,Xianyang 712046,China)
出处
《中国医药导报》
CAS
2022年第8期16-20,共5页
China Medical Herald
基金
陕西省教育厅重点科研计划项目(21JS015)
陕西中医药大学研究生创新项目(2020CX33)
陕西中医药大学学科创新团队项目(2019-YL13)。
关键词
黄精
非小细胞肺癌
网络药理学
分子对接
Rhizoma Polygonati
Non-small cell lung cancer
Network pharmacology
Molecular docking
