关键词: Crocetin glucosyltransferase 2 Crocus sativus L. Metabolomics Molecular docking Proteomics

Mesh : Crocus / chemistry metabolism Carotenoids / metabolism chemistry Vitamin A / analogs & derivatives metabolism Molecular Docking Simulation Glucosyltransferases / metabolism chemistry Biotransformation Plant Proteins / metabolism chemistry Flowers / chemistry metabolism

来  源:   DOI:10.1016/j.foodchem.2024.139917

Abstract:
Crocus sativus L. is a both medicinal and food bulbous flower whose qualities are geographically characterized. However, identification involving different places of origin of such substances is currently limited to single-omics mediated content analysis. Integrated metabolomics and proteomics, 840 saffron samples from six countries (Spain, Greece, Iran, China, Japan, and India) were analyzed using the QuEChERS extraction method. A total of 77 differential metabolites and 14 differential proteins were identified. The limits of detection of the method were 1.33 to 8.33 μg kg-1, and the recoveries were 85.56% to 105.18%. Using homology modeling and molecular docking, the Gln84, Lys195, Val182 and Pro184 sites of Crocetin glucosyltransferase 2 were found to be the targets of crocetin binding. By multivariate statistical analysis (PCA and PLS-DA), different saffron samples were clearly distinguished. The results provided the basis for the selection and identification of high quality saffron from different producing areas.
摘要:
番红花是一种药用和食用球茎花,其品质具有地理特征。然而,涉及这些物质不同来源地的鉴定目前仅限于单组学介导的内容分析。整合代谢组学和蛋白质组学,来自六个国家的840个藏红花样本(西班牙,希腊,伊朗,中国,Japan,和印度)使用QuEChERS提取方法进行分析。共鉴定出77种差异代谢物和14种差异蛋白。该方法的检出限为1.33~8.33μgkg-1,加标回收率为85.56%~105.18%。使用同源建模和分子对接,发现藏红花素葡萄糖基转移酶2的Gln84,Lys195,Val182和Pro184位点是藏红花素结合的靶标。通过多元统计分析(PCA和PLS-DA),不同的藏红花样品被清楚地区分。研究结果为不同产地优质藏红花的选育和鉴别提供了依据。
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