金荞麦中优效组分的网络药理学研究
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篇名: 金荞麦中优效组分的网络药理学研究
TITLE: Study on Network Pharmacology of Superior Components of Fagopyrum dibotrys
摘要: 目的:研究金荞麦中优效组分的药理作用及可能的分子机制。方法:基于网络药理学,以类药性(DL)>0.18和生物利用度(OB)>30%为标准,借助中药整合药理学计算平台(TCMSP)筛选金荞麦中的优效组分;利用药效基团匹配与潜在识别靶标数据库(PharmMapper)获取金荞麦优效组分的潜在作用靶点;利用生物学信息注释数据库(DAVID)对获得的靶点蛋白进行京都基因与基因组数据库(KEGG)信号通路分析和基因本体(GO)生物过程(包括生物过程、分子功能及细胞组分)富集分析(均以P<0.05为标准)。结果:从金荞麦中共筛选出15种优效组分[如槲皮素、木犀草素、原矢车菊素B1、(+)儿茶素、β-谷甾醇等]和114个潜在作用靶蛋白[如雌二醇17-β-脱氢酶1、环腺苷酸(cAMP)特异性3,5-环磷酸二酯酶4D、维生素D3受体、尿苷胞苷激酶2、HRAS基因编码的三磷酸尿苷酶等];涉及34条重要通路,如丝裂原活化蛋白激酶(MAPK)信号通路、血管内皮生长因子(VEGF)信号通路、趋化因子信号通路和胰岛素信号通路,其中与癌症相关的通路11条,与代谢相关的通路7条,与内分泌系统相关的通路4条;涉及的分子功能有类固醇激素受体活性、配体依赖的核受体活性、蛋白激酶活性等,细胞组分有细胞液、细胞碎片、可溶性部分等,生物过程有细胞凋亡的调节、有机物反应的过程、内源性刺激反应的过程等。结论:金荞麦可能通过MAPK信号通路、VEGF信号通路、趋化因子通路、胰岛素信号通路等发挥抗肿瘤、抗炎及调节糖脂代谢的作用。
ABSTRACT: OBJECTIVE:To study the pharmacological effects and possible molecular mechanism of the superior components in Fagopyrum dibotrys . METHODS :Based on network pharmacology ,by selecting DL >0.18 and OB >30% as criteria ,superior components of F. dibotrys were screened out ,using the traditional Chinese medicine integrated pharmacology (TCMIP)platform. Pharm Mapper database was utilized to obtain the potential targets of each components ;Kyoto gene and genome database (KEGG) signal pathway analysis and gene ontology (GO)bioprocess enrichment analysis were performed for target protein with DAVID database(all using P<0.05 as criteria ). RESULTS :15 kinds of superior components [such as quercetin ,luteolin,procyanidin B 1, (+)catechin and β-sitosterol,etc.] and 114 target proteins (such as estradiol 17-β-dehydrogenase 1,cAMP specific 3,5-cyclic phosphodiesterase 4D,vitamin D 3 receptor,uridine cytidine kinase 2,urokinase triphosphate encoded by HRAS gene ,etc.)were screened out ,involving 34 important pathways ,like MAPK signaling pathway ,VEGF signaling pathway ,chemokine signaling pathway and insulin signaling pathway ;among them ,11 were cancer-related pathways ,7 were metabolic-related pathways ,4 were endocrine-related pathways. The involved molecular functions included steroid receptor activity ,ligand dependent nuclear receptor activity,protein kinase activity ,etc.;cell components included cell fluid ,cell fragment ,soluble part ,etc.;biological processes included the regulation of apoptosis ,the process of organic response ,the process of endogenous stimulation response ,etc. CONCLUSIONS:F. dibotrys may play anti-tumor effects ,anti-inflammatory effects ,regulation of glycolipid metabolism by acting on MAPK signaling pathway ,VEGF signaling pathway ,chemokine signaling pathway and insulin signaling pathway.
期刊: 2020年第31卷第05期
作者: 颜学玲,时政,张云
AUTHORS: YAN Xueling ,SHI Zheng,ZHANG Yun
关键字: 金荞麦;优效组分;网络药理学;靶点蛋白;信号通路;分子机制
KEYWORDS: Fagopyrum dibotrys ; Superior components ; Network pharmacology ;Target proteins ; Signaling pathways ;
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