基于数据挖掘分析牛蒡子功能因子及其潜在机制

Analysis of functional factorsand their potential mechanism of Arctii fructus based on data mining technology

中文关键词:  药食同源  牛蒡子  潜在作用机制  功能因子  作用靶点  信号通路

英文关键词:homology of medicine and food  Arctii fructus  potential mechanism  functional factors  target  signaling pathway

中文摘要:

      目的 基于生物信息数据挖掘技术探讨药食同源牛蒡子的功能因子及其潜在作用机制。方法 利用中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database and analysis platform, TCMSP)和STRING数据库平台过滤牛蒡子的有效功能因子及对应作用靶点; 运用Cytoscape 3.7.0软件建立并分析牛蒡子有效功能因子-作用靶点网络; 利用STRING数据库平台和Cytoscape 3.7.0软件建立并分析牛蒡子有效功能因子作用靶点蛋白质相互作用(protein protein interaction, PPI)网络; 利用Bioconductor对作用靶点进行基因本体(gene ontology, GO) 功能和KEGG(Kyoto encyclopedia of genes and genomes)通路富集分析。结果 牛蒡子8个有效功能因子通过128条通路作用于80个靶点发挥其保健功能。牛蒡子中的新牛蒡素甲、牛蒡子苷、β-谷甾醇、山奈酚、角鲨烯、β-胡萝卜素、β-二氢紫罗兰酮、洋蓟素等有效功能因子可能通过晚期糖基化终末产物(advanced glycosylation end products, AGE)-糖基化终末产物受体( receptor of AGEs, RAGE)信号通路、肿瘤坏死因子(tumor necrosis factor, TNF)信号通路、甲状腺激素信号通路、C 型凝集素受体信号通路等通路作用于前列腺素内过氧化物酶2(PTGS2)、半胱天冬氨酸蛋白酶3(CASP3)、转录因子AP-1(JUN)、B淋巴细胞瘤-2基因(BCL2)、α1-B肾上腺素受体(ADRA1B)、核受体辅激活因子2(NCOA2)等作用靶点发挥其抗氧化、清咽、降糖、降脂等保健功能和抗肿瘤、抗炎、舒张血管平滑肌等药理作用。结论 牛蒡子发挥保健功能与药理作用具有多组分、多靶点、多途径的特点, 研究结果可为牛蒡子食用及药用价值的进一步研究与开发提供理论基础与科学依据。

英文摘要:

      Objective To investigate the potential mechanism of functional factors of Arctii fructus based on data mining. Methods TCMSP(traditional Chinese medicine systems pharmacology database and analysis platform) and STRING database and analysis platform were used to filter the effective functional components and corresponding targets of A. fructus. Cytoscape 3.7.0 software was used to establish and analyze the effective functional component-target network of A. fructus. STRING and Cytoscape 3.7.0 software were used to establish and analyze the PPI(protein protein interaction) network, and Bioconductor was used to analyze the GO(gene ontology) function and KEGG(Kyoto encyclopedia of genes and genomes) pathway enrichment of the targets. Results Eight effective functional compounds of A. fructus exerted their effects on 80 targets through 128 pathways. The effective functional compounds including neoarctin A, arctiin, β-stanosterol, kaanaiol, supraene, β-carotene, dihydro-beta-ionone and cynarin of A. fructus might act on prostaglandin-endoperoxide synthase 2 gene (PTGS2), ?cysteine aspastic acid-specific protease 3(CASP3), JUN, B-cell lymphoma-2(BCL2), alpha-1B?adrenergic receptor(ADRA1B) and nuclear receptor coactivator 2(NCOA2) through AGE(advanced glycosylation end products)-RAGE(receptor of AGEs) signaling pathway, TNF(tumor necrosis factor) signaling pathway, thyroid hormone signaling pathway and C-type lectin receptor signaling pathway to play their health functions such as anti-oxidation, pharyngeal clearing, hypoglycemic, lipid-lowering as well as pharmacological functions such as anti-tumor, anti-inflammatory and vascular smooth muscle relaxing. Conclusion A. fructus has the characteristics of multi-component, multi-target and multi-channel in its health care function and pharmacological action. The results can provide theoretical basis and scientific basis for further research and development of A. fructus.