Metabolite identification by liquid chromatography-mass spectrometry |
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Authors: | Bhagwat PrasadAmit Garg Hardik TakwaniSaranjit Singh |
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Affiliation: | Department of Pharmaceutical Analysis, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S.A.S. Nagar, 160 062 Punjab, India |
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Abstract: | Metabolite identification (Met ID) is important during the early stages of drug discovery and development, as the metabolic products may be pharmacologically active or toxic in nature. Liquid chromatography-mass spectrometry (LC-MS) has a towering role in metabolism research.This review discusses current approaches and recent advances in using LC-MS for Met ID. We critically assess and compare various mass spectrometers, highlighting their strengths and limitations. Citing appropriate examples, we cover recent LC and ion sources, isotopic-pattern matching, hydrogen/deuterium-exchange MS, data dependent analyses, MSE, mass defect filter, 2D and 3D approaches for the elucidation of molecular formula, polarity switching, and background-subtraction and noise-reduction algorithms. A flow chart outlines a comprehensive strategy for Met ID, including a focus on reactive metabolites. |
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Keywords: | Drug development Drug discovery Early stage drug discovery Liquid chromatography-mass spectrometry (LC-MS) Mass spectrometer Metabolism Metabolite identification (Met ID) Pharmacologically active Pharmacologically toxic Reactive metabolite |
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