Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining
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 philly...
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| Format: | Article |
| Language: | English |
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Wiley
2020-01-01
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| Series: | International Journal of Analytical Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2020/8274193 |
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| author | Beibei Ma Jiameng Li Tianyu Lou Yaoyue Liang Chenxiao Wang Ruiji Li Tingting Wang Jinhui Liu Yudong Guo Zhibin Wang Jing Wang |
| author_facet | Beibei Ma Jiameng Li Tianyu Lou Yaoyue Liang Chenxiao Wang Ruiji Li Tingting Wang Jinhui Liu Yudong Guo Zhibin Wang Jing Wang |
| author_sort | Beibei Ma |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-0067faa1e6d74101917ec3efbf6aaf19 |
| institution | Kabale University |
| issn | 1687-8760 1687-8779 |
| language | English |
| publishDate | 2020-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Analytical Chemistry |
| spelling | doaj-art-0067faa1e6d74101917ec3efbf6aaf192025-02-03T05:44:12ZengWileyInternational Journal of Analytical Chemistry1687-87601687-87792020-01-01202010.1155/2020/82741938274193Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data MiningBeibei Ma0Jiameng Li1Tianyu Lou2Yaoyue Liang3Chenxiao Wang4Ruiji Li5Tingting Wang6Jinhui Liu7Yudong Guo8Zhibin Wang9Jing Wang10School of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaBeijing Institute for Drug Control, Beijing, ChinaBeijing Research Institution of Chinese Medicine, Beijing University of Chinese Medicine, Beijing, ChinaSchool of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, ChinaPhillyrin, 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.http://dx.doi.org/10.1155/2020/8274193 |
| spellingShingle | Beibei Ma Jiameng Li Tianyu Lou Yaoyue Liang Chenxiao Wang Ruiji Li Tingting Wang Jinhui Liu Yudong Guo Zhibin Wang Jing Wang 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 |
| title | Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining |
| title_full | Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining |
| title_fullStr | Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining |
| title_full_unstemmed | Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining |
| title_short | Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining |
| title_sort | comprehensive screening and identification of phillyrin metabolites in rats based on uhplc q exactive mass spectrometry combined with multi channel data mining |
| url | http://dx.doi.org/10.1155/2020/8274193 |
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