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Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry
Betulinic acid (BA) has been extensively studied in recent years mainly for its antiproliferative and antitumor effect in various types of cancers. Limited data are available regarding the pharmacokinetic profile of BA, particularly its metabolic transformation in vivo. In this study, we present the...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9656950/ https://www.ncbi.nlm.nih.gov/pubmed/36364186 http://dx.doi.org/10.3390/molecules27217359 |
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author | Ghiulai, Roxana Mioc, Marius Racoviceanu, Roxana Prodea, Alexandra Milan, Andreea Coricovac, Dorina Dehelean, Cristina Avram, Ştefana Zamfir, Alina D. Munteanu, Cristian V. A. Ivan, Viviana Şoica, Codruța |
author_facet | Ghiulai, Roxana Mioc, Marius Racoviceanu, Roxana Prodea, Alexandra Milan, Andreea Coricovac, Dorina Dehelean, Cristina Avram, Ştefana Zamfir, Alina D. Munteanu, Cristian V. A. Ivan, Viviana Şoica, Codruța |
author_sort | Ghiulai, Roxana |
collection | PubMed |
description | Betulinic acid (BA) has been extensively studied in recent years mainly for its antiproliferative and antitumor effect in various types of cancers. Limited data are available regarding the pharmacokinetic profile of BA, particularly its metabolic transformation in vivo. In this study, we present the screening and structural investigations by ESI Orbitrap MS in the negative ion mode and CID MS/MS of phase I and phase II metabolites detected in mouse plasma after the intraperitoneal administration of a nanoemulsion containing BA in SKH 1 female mice. Obtained results indicate that the main phase I metabolic reactions that BA undergoes are monohydroxylation, dihydroxylation, oxidation and hydrogenation, while phase II reactions involved sulfation, glucuronidation and methylation. The fragmentation pathway for BA and its plasma metabolites were elucidated by sequencing of the precursor ions by CID MS MS experiments. |
format | Online Article Text |
id | pubmed-9656950 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-96569502022-11-15 Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry Ghiulai, Roxana Mioc, Marius Racoviceanu, Roxana Prodea, Alexandra Milan, Andreea Coricovac, Dorina Dehelean, Cristina Avram, Ştefana Zamfir, Alina D. Munteanu, Cristian V. A. Ivan, Viviana Şoica, Codruța Molecules Article Betulinic acid (BA) has been extensively studied in recent years mainly for its antiproliferative and antitumor effect in various types of cancers. Limited data are available regarding the pharmacokinetic profile of BA, particularly its metabolic transformation in vivo. In this study, we present the screening and structural investigations by ESI Orbitrap MS in the negative ion mode and CID MS/MS of phase I and phase II metabolites detected in mouse plasma after the intraperitoneal administration of a nanoemulsion containing BA in SKH 1 female mice. Obtained results indicate that the main phase I metabolic reactions that BA undergoes are monohydroxylation, dihydroxylation, oxidation and hydrogenation, while phase II reactions involved sulfation, glucuronidation and methylation. The fragmentation pathway for BA and its plasma metabolites were elucidated by sequencing of the precursor ions by CID MS MS experiments. MDPI 2022-10-29 /pmc/articles/PMC9656950/ /pubmed/36364186 http://dx.doi.org/10.3390/molecules27217359 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 Ghiulai, Roxana Mioc, Marius Racoviceanu, Roxana Prodea, Alexandra Milan, Andreea Coricovac, Dorina Dehelean, Cristina Avram, Ştefana Zamfir, Alina D. Munteanu, Cristian V. A. Ivan, Viviana Şoica, Codruța Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry |
title | Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry |
title_full | Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry |
title_fullStr | Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry |
title_full_unstemmed | Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry |
title_short | Structural Investigation of Betulinic Acid Plasma Metabolites by Tandem Mass Spectrometry |
title_sort | structural investigation of betulinic acid plasma metabolites by tandem mass spectrometry |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9656950/ https://www.ncbi.nlm.nih.gov/pubmed/36364186 http://dx.doi.org/10.3390/molecules27217359 |
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