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UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats

Rotundic acid, the principal bioactive constituent of the herbal remedy “Jiubiying”, has been considered as a candidate compound for treating non-alcoholic fatty liver disease (NAFLD). However, the in vivo and in vitro metabolism of rotundic acid has remained unclear. With the aim of elucidating its...

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Autores principales: Wu, Lvying, Xing, Lei, Zou, Yake, Wang, Zichen, Gou, Yuanyuan, Zhang, Lei, Guan, Su
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9861526/
https://www.ncbi.nlm.nih.gov/pubmed/36676962
http://dx.doi.org/10.3390/metabo13010038
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author Wu, Lvying
Xing, Lei
Zou, Yake
Wang, Zichen
Gou, Yuanyuan
Zhang, Lei
Guan, Su
author_facet Wu, Lvying
Xing, Lei
Zou, Yake
Wang, Zichen
Gou, Yuanyuan
Zhang, Lei
Guan, Su
author_sort Wu, Lvying
collection PubMed
description Rotundic acid, the principal bioactive constituent of the herbal remedy “Jiubiying”, has been considered as a candidate compound for treating non-alcoholic fatty liver disease (NAFLD). However, the in vivo and in vitro metabolism of rotundic acid has remained unclear. With the aim of elucidating its metabolic profile, a reliable approach that used ultra-high performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) was applied for screening and identifying rotundic acid in vivo (plasma, feces, urine, and liver tissue of normal and NAFLD model rats) and in vitro (rat liver microsomes) metabolites. Herein, 26 metabolites of rotundic acid were identified, including 22 metabolites in normal rats, 20 metabolites in NAFLD model rats, and eight metabolites in rat liver microsomes. Among them, 17 metabolites were identified for the first time. These data illustrate that the pathological status of NAFLD affects the metabolism of rotundic acid. Furthermore, the major pathways of metabolism included phase Ⅰ (demethylation, desaturation, etc.) and phase Ⅱ (sulfation and glucuronidation) reactions, as well as a combined multiple-step metabolism. This work provides important information on the metabolism of rotundic acid and lays the foundation for its future clinical application.
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spelling pubmed-98615262023-01-22 UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats Wu, Lvying Xing, Lei Zou, Yake Wang, Zichen Gou, Yuanyuan Zhang, Lei Guan, Su Metabolites Article Rotundic acid, the principal bioactive constituent of the herbal remedy “Jiubiying”, has been considered as a candidate compound for treating non-alcoholic fatty liver disease (NAFLD). However, the in vivo and in vitro metabolism of rotundic acid has remained unclear. With the aim of elucidating its metabolic profile, a reliable approach that used ultra-high performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) was applied for screening and identifying rotundic acid in vivo (plasma, feces, urine, and liver tissue of normal and NAFLD model rats) and in vitro (rat liver microsomes) metabolites. Herein, 26 metabolites of rotundic acid were identified, including 22 metabolites in normal rats, 20 metabolites in NAFLD model rats, and eight metabolites in rat liver microsomes. Among them, 17 metabolites were identified for the first time. These data illustrate that the pathological status of NAFLD affects the metabolism of rotundic acid. Furthermore, the major pathways of metabolism included phase Ⅰ (demethylation, desaturation, etc.) and phase Ⅱ (sulfation and glucuronidation) reactions, as well as a combined multiple-step metabolism. This work provides important information on the metabolism of rotundic acid and lays the foundation for its future clinical application. MDPI 2022-12-26 /pmc/articles/PMC9861526/ /pubmed/36676962 http://dx.doi.org/10.3390/metabo13010038 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Wu, Lvying
Xing, Lei
Zou, Yake
Wang, Zichen
Gou, Yuanyuan
Zhang, Lei
Guan, Su
UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats
title UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats
title_full UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats
title_fullStr UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats
title_full_unstemmed UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats
title_short UPLC-QTOF-MS Based Comparison of Rotundic Acid Metabolic Profiles in Normal and NAFLD Rats
title_sort uplc-qtof-ms based comparison of rotundic acid metabolic profiles in normal and nafld rats
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9861526/
https://www.ncbi.nlm.nih.gov/pubmed/36676962
http://dx.doi.org/10.3390/metabo13010038
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