Unveiling the metabolic fate of drugs through metabolic reaction-based molecular networking

Unveiling the metabolic fate of drugs through metabolic reaction-based molecular networking

Effective annotation of in vivo drug metabolites using liquid chromatography-mass spectrometry (LC–MS) remains a formidable challenge. Herein, a metabolic reaction-based molecular networking (MRMN) strategy is introduced, which enables the “one-pot” discovery of prototype drugs and their metabolites...

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Bibliographic Details
Main Authors: Haodong Zhu, Xupeng Tong, Qi Wang, Aijing Li, Zubao Wu, Qiqi Wang, Pei Lin, Xinsheng Yao, Liufang Hu, Liangliang He, Zhihong Yao
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Acta Pharmaceutica Sinica B
Subjects:
Drug metabolism
MRMN
LC–MS
MS2 feature degradation improvement
Redundant ions identification
Endogenous interference elimination
Online Access:http://www.sciencedirect.com/science/article/pii/S2211383525002199
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