A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA

Objective: To establish a progressive research strategy for “colonic components analysis - efficacy verification and mechanism exploration - gut microbiota”, screen pharmacodynamic substances, and investigate their mechanism via gut microbiota. Methods: The pharmacodynamics of Gegen Qinlian decoctio...

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Main Authors: Zhiying Yu, Tong Li, Jie Yang, Jianghua He, Weijiang Zhang, Siyuan Li, Yunpeng Qi, Yihui Yin, Ling Dong, Wenjuan Xu
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Journal of Traditional Chinese Medical Sciences
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Online Access:http://www.sciencedirect.com/science/article/pii/S2095754824001042
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author Zhiying Yu
Tong Li
Jie Yang
Jianghua He
Weijiang Zhang
Siyuan Li
Yunpeng Qi
Yihui Yin
Ling Dong
Wenjuan Xu
author_facet Zhiying Yu
Tong Li
Jie Yang
Jianghua He
Weijiang Zhang
Siyuan Li
Yunpeng Qi
Yihui Yin
Ling Dong
Wenjuan Xu
author_sort Zhiying Yu
collection DOAJ
description Objective: To establish a progressive research strategy for “colonic components analysis - efficacy verification and mechanism exploration - gut microbiota”, screen pharmacodynamic substances, and investigate their mechanism via gut microbiota. Methods: The pharmacodynamics of Gegen Qinlian decoction (GQD) were assessed using a mouse model of dextran sulfate sodium-induced ulcerative colitis (UC). Ultra-performance liquid chromatography-quadrupole-orbitrap mass spectrometer was used to identify the prototype and metabolic components of GQD in the colon during UC. To analyze the structure and function of characteristic genera of GQD and its active components, 16S rRNA sequencing was performed. Results: We identified 67 prototypic and 14 metabolic components of GQD in the UC colon. The primary prototype components are flavonoids and alkaloids, including puerarin (PUE), baicalin (BAI), and berberine (BER). The metabolism was predominantly sulfonation. Efficacy verification showed that the main active components, puerarin, baicalin, and berberine, had good therapeutic effects on UC. The results of 16S rRNA gene sequencing showed that GQD improved UC by regulating the structure and function of the gut microbiota. The abundance of gut microbiota involved in the metabolism of the prototype components was influenced by the corresponding components. The function prediction results showed that PUE was the most comparable to GQD, with 24 consistent pathways. BAI and BER showed comparable gut microbiota regulation pathways. Characteristic pathways of BER include glucometabolic processes. Conclusion: This study focused on the key issues in the gut microbiota pathway and developed a progressive research strategy to understand the transformation mechanisms of colonic components. This research systematically analyzed the active components and metabolic transformation of GQD in the colon during the pathological state of UC, as well as changes in the structure and function of the gut microbiota, clarified the mechanism of GQD and its active components in improving UC via the gut microbiota pathway.
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spelling doaj-art-e27bb065beae44d2825496220e32e9322025-01-25T04:11:13ZengElsevierJournal of Traditional Chinese Medical Sciences2095-75482025-01-011215670A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNAZhiying Yu0Tong Li1Jie Yang2Jianghua He3Weijiang Zhang4Siyuan Li5Yunpeng Qi6Yihui Yin7Ling Dong8Wenjuan Xu9School of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, ChinaSchool of Life Sciences, Beijing University of Chinese Medicine, Beijing 102488, China; Corresponding author.Objective: To establish a progressive research strategy for “colonic components analysis - efficacy verification and mechanism exploration - gut microbiota”, screen pharmacodynamic substances, and investigate their mechanism via gut microbiota. Methods: The pharmacodynamics of Gegen Qinlian decoction (GQD) were assessed using a mouse model of dextran sulfate sodium-induced ulcerative colitis (UC). Ultra-performance liquid chromatography-quadrupole-orbitrap mass spectrometer was used to identify the prototype and metabolic components of GQD in the colon during UC. To analyze the structure and function of characteristic genera of GQD and its active components, 16S rRNA sequencing was performed. Results: We identified 67 prototypic and 14 metabolic components of GQD in the UC colon. The primary prototype components are flavonoids and alkaloids, including puerarin (PUE), baicalin (BAI), and berberine (BER). The metabolism was predominantly sulfonation. Efficacy verification showed that the main active components, puerarin, baicalin, and berberine, had good therapeutic effects on UC. The results of 16S rRNA gene sequencing showed that GQD improved UC by regulating the structure and function of the gut microbiota. The abundance of gut microbiota involved in the metabolism of the prototype components was influenced by the corresponding components. The function prediction results showed that PUE was the most comparable to GQD, with 24 consistent pathways. BAI and BER showed comparable gut microbiota regulation pathways. Characteristic pathways of BER include glucometabolic processes. Conclusion: This study focused on the key issues in the gut microbiota pathway and developed a progressive research strategy to understand the transformation mechanisms of colonic components. This research systematically analyzed the active components and metabolic transformation of GQD in the colon during the pathological state of UC, as well as changes in the structure and function of the gut microbiota, clarified the mechanism of GQD and its active components in improving UC via the gut microbiota pathway.http://www.sciencedirect.com/science/article/pii/S2095754824001042ColonGegen Qinlian decoctionGut microbiotaMechanism researchPharmacodynamic component screeningTCM-gut microbiota interaction
spellingShingle Zhiying Yu
Tong Li
Jie Yang
Jianghua He
Weijiang Zhang
Siyuan Li
Yunpeng Qi
Yihui Yin
Ling Dong
Wenjuan Xu
A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA
Journal of Traditional Chinese Medical Sciences
Colon
Gegen Qinlian decoction
Gut microbiota
Mechanism research
Pharmacodynamic component screening
TCM-gut microbiota interaction
title A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA
title_full A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA
title_fullStr A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA
title_full_unstemmed A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA
title_short A new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on UPLC-Q-orbitrap-MS and 16S rRNA
title_sort new strategy for pharmacodynamic substance screening and research on gut microbiota pathway mechanisms based on uplc q orbitrap ms and 16s rrna
topic Colon
Gegen Qinlian decoction
Gut microbiota
Mechanism research
Pharmacodynamic component screening
TCM-gut microbiota interaction
url http://www.sciencedirect.com/science/article/pii/S2095754824001042
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