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中国精品科技期刊2020
朱和权,李勇,李春阳,等. 基于代谢组学及网络药理学分析天麻熟制过程中生物学活性变化[J]. 食品工业科技,2023,44(3):29−39. doi: 10.13386/j.issn1002-0306.2022060102.
引用本文: 朱和权,李勇,李春阳,等. 基于代谢组学及网络药理学分析天麻熟制过程中生物学活性变化[J]. 食品工业科技,2023,44(3):29−39. doi: 10.13386/j.issn1002-0306.2022060102.
ZHU Hequan, LI Yong, LI Chunyang, et al. Analyzing of the Composition and Medicinal Properties of Gastrodia elata during Cooking Based on Metabonomics and Network Pharmacology[J]. Science and Technology of Food Industry, 2023, 44(3): 29−39. (in Chinese with English abstract). doi: 10.13386/j.issn1002-0306.2022060102.
Citation: ZHU Hequan, LI Yong, LI Chunyang, et al. Analyzing of the Composition and Medicinal Properties of Gastrodia elata during Cooking Based on Metabonomics and Network Pharmacology[J]. Science and Technology of Food Industry, 2023, 44(3): 29−39. (in Chinese with English abstract). doi: 10.13386/j.issn1002-0306.2022060102.

基于代谢组学及网络药理学分析天麻熟制过程中生物学活性变化

Analyzing of the Composition and Medicinal Properties of Gastrodia elata during Cooking Based on Metabonomics and Network Pharmacology

  • 摘要: 目的:通过代谢组学、网络药理学及分子对接技术阐述天麻在熟制过程中成分及其药理活性变化。方法:使用LC-QTOF-MS及R语言对天麻成分进行检测和分析;通过PubChem数据库及文献查找筛选出具有生物活性的成分;使用Swiss target prediction数据库及SEA数据库对成分靶点进行预测,GeneCards数据库和OMIM数据库获取疾病靶点;通过STRING 11.5数据库及Cytoscape3.8.2软件绘制药物-化合物-靶点网络及靶点蛋白互作网络,筛选关键成分及靶点;通过DAVID数据库和OmicShare Tools对交集靶点进行GO富集和KEGG通路注释分析。结果:在熟制天麻和新鲜天麻中找出89种在含量方面具有差异的成分;分别筛选出11种具有治疗惊厥作用的成分以及410个潜在靶点,5种具有治疗糖尿病及其并发症作用的成分及698个潜在靶点;GO和KEGG富集分析发现天麻通过IL-17信号通路、cAMP信号通路、神经活性物质受体信号通路、阿尔茨海默病信号通路以及多巴胺能神经突触信号通路治疗惊厥,通过AGE-RAGE信号通路、HIF-1、VEGF以及TNF信号通路治疗糖尿病;分子对接结果显示筛选出的成分均结合在靶点蛋白的空腔中,结合自由能均小于0 kcal/mol,分子对接构象稳定。结论:熟制天麻具有更好的神经保护作用,新鲜天麻在治疗糖尿病及其引发的心血管疾病等方面具有更好的效果。

     

    Abstract: Objective: To explain the changes of composition and medicinal properties of Gastrodia elata during cooking by metabonomics, network pharmacology and molecular docking techniques. Methods: The components of Gastrodia elata were detected by LC-QTOF-MS and analyzed by R language. The bioactive ingredients were screened through PubChem database and literature. Swiss target prediction database and SEA database were used to predict the potential targets of the active ingredients, while GeneCards database and OMIM database were used to search for diseases-related targets. The STRING 11.5 database and Cytoscape3.8.2 software were used to construct drug-compound-target network and target protein interaction network. GO enrichment and KEGG pathway annotation analysis of intersection targets were performed by DAVID database and OmicShare Tools. Results: 89 Components with different contents were found in cooked Gastrodia elata and fresh Gastrodia elata. 11 Compounds were screened for the treatment of convulsion by 410 potential targets, and 5 compounds were screened for the treatment of diabetes and its complications by 698 potential targets. GO and KEGG enrichment analysis showed that Gastrodia elata treated convulsion through IL-17 signaling pathway, cAMP signaling pathway, neuroactive substance receptor signaling pathway, Alzheimer's disease signaling pathway and dopaminergic synaptic signaling pathway, while treated diabetes through AGE-RAGE signaling pathway, HIF-1, VEGF and TNF signaling pathway. The results of molecular docking showed that the selected components were all bound to the cavity of the target protein, and the binding free energy was less than 0 kcal/mol, and the molecular docking conformation was stable. Conclusion: Cooked Gastrodia elata has better neuroprotective effect, and fresh Gastrodia elata has better effect in treating diabetes mellitus and cardiovascular diseases.

     

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