[1]张青强,马佳佳,朱和权,等.基于代谢组学及网络药理学分析不同品种芡实中活性成分及其对人糖尿病的作用[J].江苏农业学报,2024,(11):2163-2176.[doi:doi:10.3969/j.issn.1000-4440.2024.11.020]
　ZHANG Qingqiang,MA Jiajia,ZHU Hequan,et al.Effects of active components in different varieties of Euryale ferox on human diabetes based on metabolomics and network pharmacology[J].,2024,(11):2163-2176.[doi:doi:10.3969/j.issn.1000-4440.2024.11.020]
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基于代谢组学及网络药理学分析不同品种芡实中活性成分及其对人糖尿病的作用()
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江苏农业学报[ISSN:1006-6977/CN:61-1281/TN]

卷:
期数:
2024年11期
页码:
2163-2176
栏目:
加工贮藏·质量安全
出版日期:
2024-11-30

文章信息/Info

Title:
Effects of active components in different varieties of Euryale ferox on human diabetes based on metabolomics and network pharmacology
作者:
张青强1; 2; 马佳佳3; 朱和权2; 李勇4; 李红领5; 刘欢2; 蔡为荣1; 李春阳2
(1.安徽工程大学生物与食品工程学院,安徽芜湖241000；2.江苏省农业科学院农产品加工研究所,江苏南京210014；3.江苏太湖地区农业科学研究所,江苏苏州215000；4.江苏省农业科学院农业资源与环境研究所,江苏南京210014；5.南京工业大学食品与轻工学院,江苏南京211816)
Author(s):
ZHANG Qingqiang1; 2; MA Jiajia3; ZHU Hequan2; LI Yong4; LI Hongling5; LIU Huan2; CAI Weirong1; LI Chunyang2
(1.College of Biological and Food Engineering, Anhui Polytechnic University, Wuhu 241000, China;2.Institute of Agroproduct Processing, Jiangsu Academy of Agricultural Sciences, Nanjing 210014, China;3.Taihu Research Institute of Agricultural Sciences, Suzhou 215000, China;4.Institute of Agricultural Resources and Environment, Jiangsu Academy of Agricultural Sciences, Nanjing 210014, China;5.College of Food Science and Light Industry, Nanjing Tech University, Nanjing 211816, China)
关键词:
芡实; 糖尿病; 代谢组学; 网路药理学; 分子对接
Keywords:
Euryale ferox; diabetes; metabolomics; network pharmacology; molecular docking
分类号:
R285;S645.9
DOI:
doi:10.3969/j.issn.1000-4440.2024.11.020
文献标志码:
A
摘要:
通过代谢组学、网络药理学及分子对接技术分析不同芡实品种中的活性成分及其对糖尿病的作用。使用四极杆飞行时间液质联用系统(LC-QTOF-MS)、Metaboanalyst(https://www.metaboanalyst.ca/)和TBtools软件对芡实成分进行检测和分析；通过PubChem筛选出芡实中具有生物活性的成分；使用Swiss预测芡实成分靶点,通过多种数据库检索疾病靶点取并集；绘制蛋白质互作（PPI）网络查找主要成分及核心靶点；对交集靶点进行GO富集分析和KEGG富集分析；最后通过分子对接技术进行验证。结果表明,苏芡和刺芡中有153种在含量方面具有显著差异的成分；从苏芡中筛选出12种具有缓解糖尿病及其并发症效果的成分以及578个潜在靶点,从刺芡中筛选出3种具有缓解糖尿病及其并发症效果的成分及226个潜在靶点；GO富集和KEGG富集分析结果显示,苏芡中的靶点主要富集在糖尿病性心肌病、胰岛素抵抗、糖尿病并发症中的高级糖基化终末产物-受体信号通路,刺芡中的靶点主要富集在癌症的发病途径、脂肪细胞脂解的调控、磷酸腺苷活化蛋白激酶信号通路；分子对接分析结果显示,筛选出的成分均结合在靶点蛋白质的凹陷处,结合自由能均为负值,分子对接构象稳定。说明,苏芡在缓解糖尿病及其并发症等方面较刺芡具有更好的效果。
Abstract:
This study aims to elucidate the active ingredient differences in Euryale ferox and the alleviation of diabetes among different varieties, known as South Euryale and North Euryale, using metabolomics, network pharmacology, and molecular docking techniques. Liquid chromatography-quadrupole time of flight-mass spectrometry (LC-QTOF-MS), Metaboanalyst（https://www.metaboanalyst.ca/）, and TBtools were used for the detection and analysis of components in E. ferox. Bioactive components in E. ferox were screened through PubChem. Swiss was used to predict the targets of E. ferox components, and disease targets were searched from multiple databases and combined. Protein-protein interaction (PPI) networks were constructed to identify major components and core targets. GO analysis and KEGG analysis were conducted on the intersected targets. Finally, molecular docking models were used for validation. The results showed that 153 components with significant differences in the content were found between South Euryale and North Euryale. Twelve components with the potential to alleviate diabetes and its complications, along with 578 potential targets, were identified in South Euryale, while three components and 226 potential targets were identified in North Euryale. GO and KEGG enrichment analysis revealed that the targets in South Euryale were mainly enriched in the pathogenesis of diabetic cardiomyopathy, insulin resistance, and the advanced glycation end products-receptor of advanced glycation endproducts (AGE-RAGE) signaling pathway in diabetic complications, while the targets in North Euryale were primarily enriched in the pathogenesis of cancer, regulation of adipocyte lipolysis, and the adenosine 5’-monophosphate (AMP)-activated protein kinase (AMPK) signaling pathway. Molecular docking results showed that the screened components combined to the depressed sites of target proteins, with negative binding free energy and stable molecular docking conformations. It can be concluded that South Euryale exhibited better effects in alleviating diabetes and its complications compared to North Euryale.

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备注/Memo

备注/Memo:
收稿日期：2024-05-24基金项目：苏州市科技计划项目(SNG2022068)作者简介：张青强(1998-),男,安徽亳州人,硕士研究生,研究方向为营养与功能食品。(E-mail)zhangqingqiang521@gmail.com。马佳佳为共同第一作者。通讯作者：李春阳,(E-mail)lichunyang968@126.com
更新日期/Last Update: 2025-01-20