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一种新型的靶向代谢组学预测-验证策略:比较生 turmeric 和发酵 turmeric 中的姜黄素类化合物。

A novel predict-verify strategy for targeted metabolomics: Comparison of the curcuminoids between crude and fermented turmeric.

机构信息

College of Pharmacy, Hubei University of Chinese Medicine, Wuhan, Hubei, China.

College of Pharmacy, Hubei University of Chinese Medicine, Wuhan, Hubei, China; Key Laboratory of Traditional Chinese Medicine Resources and Chemistry of Hubei Province, Wuhan, Hubei, China.

出版信息

Food Chem. 2020 Nov 30;331:127281. doi: 10.1016/j.foodchem.2020.127281. Epub 2020 Jun 10.

DOI:10.1016/j.foodchem.2020.127281
PMID:32559596
Abstract

Curcuminoids are the major bioactive constituents of turmeric, the application of which are limited by the poor bioavailability. In this study, turmeric was fermented by the Monascus purpureus and Eurotium cristatum fungi to enhance its bioavailability. To explore the variations in the curcuminoids contents in fermented turmeric, a targeted predict-verify strategy was established. For targeted analysis of curcuminoids, a compound library containing all possible curcuminoids based on their structural skeleton was predicted and built for targeted scanning. Then, the MS data were automatically matched with the predicted library to verify the corresponding curcuminoids. As a result, 115 curcuminoids (48 novel compounds and 14 compounds reported in turmeric for the first time) were fully characterized in crude and fermented turmeric. Among these curcuminoids, 31 were newly generated in fermented turmeric. The established predict-verify strategy allows for an efficient and automatic metabolomic analysis to screen for curcuminoids with potentially better bioavailability.

摘要

姜黄素是姜黄的主要生物活性成分,但其生物利用度较差,应用受到限制。本研究通过红曲霉和青霉发酵姜黄,以提高其生物利用度。为了探究发酵姜黄中姜黄素含量的变化,建立了一种靶向预测-验证策略。针对姜黄素的靶向分析,基于其结构骨架预测并构建了包含所有可能姜黄素的化合物库,进行靶向扫描。然后,将 MS 数据与预测库自动匹配,以验证相应的姜黄素。结果,在粗提和发酵姜黄中全面鉴定了 115 种姜黄素(48 种新化合物和 14 种首次在姜黄中报道的化合物)。在这些姜黄素中,有 31 种是在发酵姜黄中生成的。所建立的预测-验证策略可用于高效自动代谢组学分析,筛选具有潜在更好生物利用度的姜黄素。

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