Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining

Joint Authors

Ma, Beibei
Li, Jiameng
Lou, Tianyu
Liang, Yaoyue
Wang, Chenxiao
Li, Ruiji
Wang, Tingting
Liu, Jinhui
Guo, Yudong
Wang, Zhibin
Wang, Jing

Source

International Journal of Analytical Chemistry

Issue

Vol. 2020, Issue 2020 (31 Dec. 2020), pp.1-20, 20 p.

Publisher

Hindawi Publishing Corporation

Publication Date

2020-06-24

Country of Publication

Egypt

No. of Pages

20

Main Subjects

Chemistry
Science

Abstract EN

Phillyrin, a well-known bisepoxylignan, has been shown to have many critical pharmacological activities.

In this study, a novel strategy for the extensive acquisition and use of data was established based on UHPLC-Q-Exactive mass spectrometry to analyze and identify the in vivo metabolites of phillyrin and to elucidate the in vivo metabolic pathways of phillyrin.

Among them, the generation of data sets was mainly due to multichannel data mining methods, such as high extracted ion chromatogram (HEIC), diagnostic product ion (DPI), and neutral loss filtering (NLF).

A total of 60 metabolites (including the prototype compound) were identified in positive and negative ion modes based on intuitive and useful data such as the standard’s cleavage rule, accurate molecular mass, and chromatographic retention time.

The results showed that a series of biological reactions of phillyrin in vivo mainly included methylation, hydroxylation, hydrogenation, sulfonation, glucuronidation, demethylation, and dehydrogenation and their composite reactions.

In summary, this study not only comprehensively explained the in vivo metabolism of phillyrin, but also proposed an effective strategy to quickly analyze and identify the metabolites of natural pharmaceutical ingredients in nature.

American Psychological Association (APA)

Ma, Beibei& Li, Jiameng& Lou, Tianyu& Liang, Yaoyue& Wang, Chenxiao& Li, Ruiji…[et al.]. 2020. Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining. International Journal of Analytical Chemistry،Vol. 2020, no. 2020, pp.1-20.
https://search.emarefa.net/detail/BIM-1167698

Modern Language Association (MLA)

Ma, Beibei…[et al.]. Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining. International Journal of Analytical Chemistry No. 2020 (2020), pp.1-20.
https://search.emarefa.net/detail/BIM-1167698

American Medical Association (AMA)

Ma, Beibei& Li, Jiameng& Lou, Tianyu& Liang, Yaoyue& Wang, Chenxiao& Li, Ruiji…[et al.]. Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining. International Journal of Analytical Chemistry. 2020. Vol. 2020, no. 2020, pp.1-20.
https://search.emarefa.net/detail/BIM-1167698

Data Type

Journal Articles

Language

English

Notes

Includes bibliographical references

Record ID

BIM-1167698