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UHPLC-Q-TOF-MS/MS based screening and identification of the metabolites in vivo after oral administration of betulin
- Source :
- Fitoterapia. 127:29-41
- Publication Year :
- 2018
- Publisher :
- Elsevier BV, 2018.
-
Abstract
- Betulin is an active natural pentacyclic triterpene ingredient with valuable anti-cancer and anti-HIV efficacies. In the present study, an efficient approach was developed to screening and identification of metabolites and to assess the metabolic profiles of betulin in vivo using UHPLC-Q-TOF-MS/MS system based on multiple mass defect filter data acquisition (MMDF) and multiple data processing techniques. Based on the proposed method, 56 phase I and 6 phase II metabolites were detected in rats after oral administration of betulin. The main biotransformation routes of betulin were identified as demethylation, dehydroxylation, deoxidization, dehydration. Conjugation with sulfate, taurine, cysteine and N-acetylcysteine groups produced 6 phase II metabolites. This study not only provided useful information for further study of the pharmacology and mechanism of betulin in vivo, but also provided essential data for further pharmaceutical studies of other pentacyclic triterpenes.
- Subjects :
- Male
0301 basic medicine
Taurine
Administration, Oral
Urine
01 natural sciences
Rats, Sprague-Dawley
Plasma
03 medical and health sciences
chemistry.chemical_compound
Biotransformation
Triterpene
Tandem Mass Spectrometry
In vivo
Oral administration
Drug Discovery
Animals
Bile
Chromatography, High Pressure Liquid
Demethylation
Pharmacology
chemistry.chemical_classification
Betulin
Chromatography
Molecular Structure
010401 analytical chemistry
General Medicine
Triterpenes
Rats
0104 chemical sciences
030104 developmental biology
chemistry
Metabolome
Pentacyclic Triterpenes
Subjects
Details
- ISSN :
- 0367326X
- Volume :
- 127
- Database :
- OpenAIRE
- Journal :
- Fitoterapia
- Accession number :
- edsair.doi.dedup.....9a79d71fb8c3e13aeff8927fe0a25548