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.
1.Chinese Acad Sci, State Key Lab Phytochem & Plant Resources West Ch, Kunming Inst Bot, Kunming 650201, Yunnan, Peoples R China 2.Jiangxi Univ Tradit Chinese Med, Res Ctr Differentiat & Dev Basic Theory Tradit Ch, Nanchang 330004, Jiangxi, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 4.Jiangxi Univ Tradit Chinese Med, Sch Pharm, Nanchang 330004, Jiangxi, Peoples R China 5.Peking Univ, Sch Pharmaceut Sci, Hlth Sci Ctr, Beijing 100191, Peoples R China
Recommended Citation:
Yang,Xiao-Nan,Lv,Qian-Qian,Zhao,Qi,et al. Metabolic profiling of myrislignan by UPLC-ESI-QTOFMS-based metabolomics[J]. RSC ADVANCES,2017,7(64):40131-40140.
