Issue 64, 2017, Issue in Progress

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

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

Article information

Article type
Paper
Submitted
03 Jun 2017
Accepted
02 Aug 2017
First published
16 Aug 2017
This article is Open Access
Creative Commons BY license

RSC Adv., 2017,7, 40131-40140

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

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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