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首页> 外文期刊>RSC Advances >Metabolic profiling of myrislignan by UPLC-ESI-QTOFMS-based metabolomics
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Metabolic profiling of myrislignan by UPLC-ESI-QTOFMS-based metabolomics

机译：通过基于UPLC-ESI-QTOFMS的代谢组学对米斯利南的代谢谱分析

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Myrislignan (MRL) is a bioactive 8-O-4′-neolignan distributed in nutmeg that is an official Traditional Chinese Medicine used for the treatment of gastrointestinal diseases in China. In the present study, the metabolic map of MRL was determined in mouse by ultra-performance chromatography electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC-ESI-QTOFMS)-based metabolomics. A total of 23 MRL metabolites (19 were newly identified) were determined in both in vivo and in vitro metabolism of MRL. It was found that hydroxylation and demethylation were the major metabolic pathways for MRL metabolism in vitro and in vivo, respectively. Recombinant cytochrome P450s (CYPs) screening revealed that CYP3A4 and CYP3A5 played a crucial role in the metabolism of MRL. Interestingly, MRL and its metabolites were prone to generate the high abundance ions of Na+ adducts due to one 8-O-4′ type bond in their molecular structures. Taken together, these data reveal the metabolic map of MRL, contributing to the understanding of the metabolism and disposition of 8-O-4′-neolignans in nutmeg.
机译：麦里斯光脂（MRL）是一种分布于肉豆蔻中的生物活性8-O-4'-新木质素，是一种用于治疗胃肠道疾病的官方中药。在本研究中，MRL的代谢图谱是通过基于超高效能色谱电喷雾电离四极杆飞行时间质谱（UPLC-ESI-QTOFMS）的代谢组学方法确定的。在MRL的体内和体外代谢中共测定了23种MRL代谢产物（新鉴定出19种）。研究发现，羟基化和去甲基化分别是体外 和体内的MRL代谢的主要代谢途径。重组细胞色素P450（CYPs）筛选显示CYP3A4和CYP3A5在MRL代谢中起关键作用。有趣的是，由于MRL及其代谢物的分子结构中存在一个8-O-4'型键，因此它们易于生成Na + 加合物的高丰度离子。总之，这些数据揭示了MRL的代谢图谱，有助于理解肉豆蔻中8-O-4'-新木质素的代谢和分布。

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