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Issue 64, 2017, Issue in Progress
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Metabolic profiling of myrislignan by UPLC-ESI-QTOFMS-based metabolomics

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Abstract

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.

Graphical abstract: Metabolic profiling of myrislignan by UPLC-ESI-QTOFMS-based metabolomics

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Article information


Submitted
03 Jun 2017
Accepted
02 Aug 2017
First published
16 Aug 2017

This article is Open Access

RSC Adv., 2017,7, 40131-40140
Article type
Paper

Metabolic profiling of myrislignan by UPLC-ESI-QTOFMS-based metabolomics

X. Yang, Q. Lv, Q. Zhao, X. Li, D. Yan, X. Yang and F. Li, RSC Adv., 2017, 7, 40131
DOI: 10.1039/C7RA06189G

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