黄芪活性成分抗衰老作用机制的网络药理学研究 |
投稿时间:2020-06-11 点此下载全文
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引用本文:张婷,王宏雅,魏桂杰,赵雯雯,孙秀蕊,张哲,马鹏凯,张玉杰.黄芪活性成分抗衰老作用机制的网络药理学研究[J].中国现代中药,2021,23(5):807-814 |
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中文摘要:目的:运用网络药理学方法探讨黄芪抗衰老的作用机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)获得黄芪化学成分,以生物利用度(OB)、类药性(DL)为条件筛选主要活性成分;利用TCMSP和PharmMapper数据库预测黄芪活性成分靶点;在OMIM数据库和GeneCards数据库中输入关键词“aging”,搜索与衰老相关的疾病靶点;借助Cytoscape 3.2.1软件构建“药物-疾病-靶点”的可视化网络;通过STRING网站构建蛋白质-蛋白质相互作用(PPI)网络,并筛选核心靶点;通过CB-Dock网站对成分与靶点进行分子对接验证;应用DAVID数据库对靶点进行基因本体(GO)分析和京都基因与基因组百科全书(KEGG)通路分析。结果:筛选得到黄芪24个活性成分,对应385个作用靶点;筛选出衰老相关靶点23 997个,取交集得到黄芪与衰老相关靶点377个,其中核心靶点为蛋白激酶B1(Akt1)、丝裂原活化蛋白激酶1(MAPK1)、Jun、白细胞介素-6(IL-6)、MAPK8、表皮生长因子受体(EGFR)、血管内皮生长因子A(VEGFA)、表皮生长因子(EGF)、骨髓细胞瘤病毒癌基因同源物(MYC)和白细胞介素-8(CXCL8);分子对接结果显示,黄芪活性成分与靶蛋白Akt1和MAPK1的结合能力较好;GO功能显著富集在氧化应激反应、活性氧代谢等生物过程;KEGG富集信号通路161条。结论:黄芪中黄酮和皂苷类化合物可能是其抗衰老的物质基础;黄芪可通过Akt1等靶点调节糖基化终末产物及其受体(AGE-RAGE)、缺氧诱导因子-1(HIF-1)等信号通路发挥其抗衰老作用,为其深入研究提供参考。 |
中文关键词:黄芪 抗衰老 网络药理学 药物靶点 衰老靶点 分子对接 |
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Study on Anti-aging Mechanism of Active Components of Astragali Radix Based on Network Pharmacology |
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Abstract:Objective:To explore the mechanism of Astragali Radix for anti-aging by means of network pharmacology. Methods:Chemical compositions of Astragali Radix were obtained by Traditional Chinese Medicine Systems Pharmacology(TCMSP), the main active ingredients were screened under the conditions of oral bioavailability (OB) and drug-likeness (DL);TCMSP and PharmMapper database were used to predict the active component targets. The key word “aging” was input into OMIM database and GeneCards database to search for disease targets;Cytoscape 3.2.1 software was used to construct a visual network diagram of ″drug-disease-target″;PPI protein interaction network was constructed through STRING website, and core targets were screened;molecular docking between the components and the target was verified through the CB-Dock website;David database was used for the enrichment analysis of gene ontology(GO) function and Kyoto encyclopedia of genes and genomes(KEGG) pathway. Results:The results showed that 24 active components and 385 targets of Astragali Radix were involved;23 997 aging-related targets were screened and 377 of them were obtained from the intersection of Astragali Radix and aging-related targets;The core target proteins were protein kinase B(Akt1),mitogen-activated protein kinase 1 (MAPK1), Jun, interleukin-6(IL-6), MAPK8, epidermal growth factor receptor(EGFR), vascular endothelial growth factor A(VEGFA), epidermal growth factor(EGF),myelocytomatosis viral oncogene homolog(MYC) and interleukin-8(CXCL8);Molecular docking showed that the binding ability of the active components to the target protein Akt1 and MAPK1 was well;GO function is significantly enriched in biological processes such as oxidative stress reaction and active oxygen metabolism. KEGG enriched 161 signaling pathways. Conclusion:The active ingredients of flavonoids and saponins in Astragali Radix are the material basis for the treatment of aging;Astragali Radix can regulate AGE-RAGE signaling pathway, HIF-1 signaling pathway through Akt1 and other targets to exert its anti-aging effect, which provides a theoretical reference for further research. |
keywords:Astragali Radix anti-aging network pharmacology drug targets aging targets molecular docking |
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