Metabolite identification of bentysrepinine (Y101), a novel anti-HBV agent in rats using a five-step strategy based on a combined workflow with two different platforms of liquid chromatography–tandem mass spectrometry

Fan, Huirong; Hu, Zhan-Xing; Li, Ruixing; Su, Dong; Gu, Yuan; Liu, Ting; Si, Duanyun; Guang-yi, Liang; Liu, Changxiao

doi:10.1016/j.jchromb.2016.12.008

Cited by 5 publications

(5 citation statements)

References 18 publications

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“…(3) The structures of metabolites were clarified based on the accurate mass measurement, relevant drug biotransformation knowledge, and previously investigated fragmentation patterns of fisetin. (4) Finally, Clog P in ChemDraw 12.0, an important parameter, was employed to identify isomers . Generally, the compound with larger value commonly has longer retention time in a reversed phase liquid chromatography system. − …”

Section: Resultsmentioning

confidence: 99%

“…(4) Finally, Clog P in ChemDraw 12.0, an important parameter, was employed to identify isomers . Generally, the compound with larger value commonly has longer retention time in a reversed phase liquid chromatography system. − …”

Section: Resultsmentioning

confidence: 99%

“…(4) Finally, Clog P in ChemDraw 12.0, an important parameter, was employed to identify isomers. 29 Generally, the compound with larger value commonly has longer retention time in a reversed phase liquid chromatography system. 24−32 According to the above analysis method, a great number of metabolites were identified in biosamples.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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UHPLC-Q-TOF-MS/MS Method Based on Four-Step Strategy for Metabolism Study of Fisetin in Vitro and in Vivo

Zhang

Yin

Liang

et al. 2017

J. Agric. Food Chem.

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Fisetin has been identified as an anticancer agent with antiangiogenic properties in mice. However, its metabolism in vitro (rat liver microsomes) and in vivo (rats) is presently not characterized. In this study, ultra-high-performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) was employed for data acquiring, and a four-step analytical strategy was developed to screen and identify metabolites. First, full-scan was applied, which was dependent on a multiple mass defect filter (MMDF) combined with dynamic background subtraction (DBS). Then PeakView 1.2 and Metabolitepilot 1.5 software were used to load data to seek possible metabolites. Finally, metabolites were identified according to mass measurement and retention time. Moreover, isomers were distinguished based on Clog P parameter. Based on the proposed method, 53 metabolites in vivo and 14 metabolites in vitro were characterized. Moreover, metabolic pathways mainly included oxidation, reduction, hydrogenation, methylation, sulfation, and glucuronidation.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

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UHPLC-Q-TOF-MS/MS Method Based on Four-Step Strategy for Metabolism Study of Fisetin in Vitro and in Vivo

Zhang

Yin

Liang

et al. 2017

J. Agric. Food Chem.

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“…To reveal the metabolic process of PIM in vivo , it is crucial to identify its metabolite profiles in biological samples such as plasma, bile, urine and feces . However, it is rather a challenge to screen metabolites in biological samples, due to their low concentration in vivo and complicated endogenous interference …”

Section: Introductionmentioning

confidence: 99%

“…12 However, it is rather a challenge to screen metabolites in biological samples, due to their low concentration in vivo and complicated endogenous interference. [13][14][15] Establishing a high-throughout, high-specificity and high-sensitivity analytical method is necessary. 16,17 Among the available analytical techniques, ultrahigh-performance liquid chromatography coupled to Fourier transform ion cyclotron resonance mass spectrometry (UHPLC/FT-ICR-MS) is a powerful and reliable analytical approach for detecting and identifying drug metabolites in vivo.…”

Section: Introductionmentioning

confidence: 99%

Investigation of metabolic profile of pimavanserin in rats by ultrahigh‐performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry

Wang

Chu

Wang

et al. 2018

Rapid Comm Mass Spectrometry

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Phase I, First-in-Human, Single and Multiple Ascending Dose- and Food-Effect Studies to Assess the Safety, Tolerability and Pharmacokinetics of a Novel Anti-hepatitis B Virus Drug, Bentysrepinine (Y101), in Healthy Chinese Subjects

et al. 2020

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Metabolite identification of bentysrepinine (Y101), a novel anti-HBV agent in rats using a five-step strategy based on a combined workflow with two different platforms of liquid chromatography–tandem mass spectrometry

Cited by 5 publications

References 18 publications

UHPLC-Q-TOF-MS/MS Method Based on Four-Step Strategy for Metabolism Study of Fisetin in Vitro and in Vivo

UHPLC-Q-TOF-MS/MS Method Based on Four-Step Strategy for Metabolism Study of Fisetin in Vitro and in Vivo

Investigation of metabolic profile of pimavanserin in rats by ultrahigh‐performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry

Phase I, First-in-Human, Single and Multiple Ascending Dose- and Food-Effect Studies to Assess the Safety, Tolerability and Pharmacokinetics of a Novel Anti-hepatitis B Virus Drug, Bentysrepinine (Y101), in Healthy Chinese Subjects

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