Screening and Identification of the Main Metabolites of Schisantherin a In Vivo and In Vitro by Using UHPLC-Q-TOF-MS/MS

Autor: Ming-Liang Liu, Li-Ying Niu, Rui-Feng Mu, Le Gao, Bing-Yuan Xu, Ling-Yu Zhou, Wei Feng, Xin-Guo Wang
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Male
Taurine
Schisandra chinensis
Drug Evaluation
Preclinical
Pharmaceutical Science
multiple mass defect filter
Dioxoles
030226 pharmacology & pharmacy
01 natural sciences
UHPLC-Q-TOF-MS/MS
Article
Lignans
Analytical Chemistry
lcsh:QD241-441
Rats
Sprague-Dawley
Cyclooctanes
03 medical and health sciences
chemistry.chemical_compound
0302 clinical medicine
lcsh:Organic chemistry
Biotransformation
Tandem Mass Spectrometry
In vivo
Drug Discovery
Animals
Metabolomics
Physical and Theoretical Chemistry
schisantherin A
Chromatography
High Pressure Liquid
metabolites
Ions
Chromatography
biology
010401 analytical chemistry
Organic Chemistry
Glutathione
biology.organism_classification
0104 chemical sciences
Triple quadrupole mass spectrometer
Metabolic pathway
chemistry
Chemistry (miscellaneous)
Metabolome
Molecular Medicine
identification
multiple data processing
Glucuronide
Oxidation-Reduction
Metabolic Networks and Pathways
Zdroj: Molecules
Volume 25
Issue 2
Molecules, Vol 25, Iss 2, p 258 (2020)
ISSN: 1420-3049
DOI: 10.3390/molecules25020258
Popis: Schisantherin A is an active ingredient originating from Schisandra chinensis (Turcz.) which has hepatoprotective and anti-oxidation activities. In this study, in vitro metabolisms investigated on rat liver microsomes (RLMs) and in vivo metabolisms explored on male Sprague Dawley rats of Schisantherin A were tested, respectively. The metabolites of Schisantherin A were identified using ultra-high-performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS). Based on the method, 60 metabolites were successfully identified and structurally characterized including 48 phase-I and 12 phase-II metabolites. Among the metabolites, 45 metabolites were reported for the first time. Moreover, 56 and eight metabolites were detected in urine and bile and 19 metabolites were identified in rats&rsquo
plasma. It demonstrated that hepatic and extra-hepatic metabolic pathways were both involved in Schisantherin A biotransformation in rats. Five in vitro metabolites were structurally characterized for the first time. The results indicated that the metabolic pathways mainly include oxidation, reduction, methylation, and conjugation with glucuronide, taurine, glucose, and glutathione groups. This study provides a practical strategy for rapidly screening and identifying metabolites, and the results provide basic data for future pharmacological and toxicology studies of Schisantherin A and other lignin ingredients.
Databáze: OpenAIRE
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