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Identification of the New In Vivo Metabolites of Ilaprazole in Rat Plasma after Oral Administration by LC-MS: In Silico Prediction of the H+/K+-ATPase Inhibitor

Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China
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Author to whom correspondence should be addressed.
These authors are equally contributed to this work.
Academic Editor: Diego Muñoz-Torrero
Molecules 2021, 26(2), 459; https://doi.org/10.3390/molecules26020459
Received: 28 December 2020 / Revised: 11 January 2021 / Accepted: 11 January 2021 / Published: 16 January 2021
Ilaprazole is a proton pump inhibitor used to treat digestive diseases. In this study, blood samples were collected after oral administration of ilaprazole and prepared by liquid–liquid extraction. The metabolites of ilaprazole were detected by liquid chromatography–high-resolution mass spectrometry (LC-HRMS) and LC-MSn. A total of twelve in vivo metabolites were detected in rat plasma and six new metabolites of ilaprazole, including one reductive metabolite with sulfide (M3), two hydroxylated metabolites with sulfoxide (M7 and M8), and three oxidative metabolites with sulfone (M9, M11, and M12), were identified. The possible metabolic pathways of ilaprazole and the fragmentation behaviors of its metabolites were elucidated. The result of the in silico prediction indicates that all the new metabolites showed the potential ability to inhibit H+/K+-ATPase activity. View Full-Text
Keywords: ilaprazole; proton pump inhibitors; metabolite identification; bioactivity prediction; LC-MS ilaprazole; proton pump inhibitors; metabolite identification; bioactivity prediction; LC-MS
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MDPI and ACS Style

Zhang, G.; Guo, K.; Wang, P.; Shan, Y.; Ma, C. Identification of the New In Vivo Metabolites of Ilaprazole in Rat Plasma after Oral Administration by LC-MS: In Silico Prediction of the H+/K+-ATPase Inhibitor. Molecules 2021, 26, 459. https://doi.org/10.3390/molecules26020459

AMA Style

Zhang G, Guo K, Wang P, Shan Y, Ma C. Identification of the New In Vivo Metabolites of Ilaprazole in Rat Plasma after Oral Administration by LC-MS: In Silico Prediction of the H+/K+-ATPase Inhibitor. Molecules. 2021; 26(2):459. https://doi.org/10.3390/molecules26020459

Chicago/Turabian Style

Zhang, Guiqiu, Kaijing Guo, Pengfei Wang, Yingbo Shan, and Chen Ma. 2021. "Identification of the New In Vivo Metabolites of Ilaprazole in Rat Plasma after Oral Administration by LC-MS: In Silico Prediction of the H+/K+-ATPase Inhibitor" Molecules 26, no. 2: 459. https://doi.org/10.3390/molecules26020459

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