Nuclear magnetic resonance (NMR)-based drug metabolite profiling.
Methods Mol Biol. 2011;708:299-319
Authors: Lenz EM
The identification of drug metabolites in biofluids such as urine, plasma and bile is an important step in drug discovery and development. Proton nuclear magnetic resonance ((1)H-NMR) spectroscopy can provide detailed information regarding the structural transformation of a compound as a consequence of metabolism. However, successful identification of drug metabolites by (1)H-NMR spectroscopy is generally compromised by the presence of endogenous metabolites, which can obscure the signals of the drug metabolites in question. Hence, sample clean-up and separation of the metabolites from the biofluid matrix is crucial. This is generally achieved by extraction of the biofluid, solid-phase extraction (SPE), high-performance liquid chromatography (HPLC) or any combination of these. Apart from (1)H, other NMR-active nuclei, such as (19)F, can provide a useful handle for metabolite profiling, provided they are not naturally present in the biofluid. Successful studies have shown that the presence of a fluorine-handle on the drug and its metabolites can provide additional qualitative and quantitative data by (19)F-NMR spectroscopy. This chapter provides guidelines and examples of NMR-based drug metabolite profiling.
Comparison of serum metabolite compositions between obese and lean growing pigs using an NMR-based metabonomic approach.
Comparison of serum metabolite compositions between obese and lean growing pigs using an NMR-based metabonomic approach.
Comparison of serum metabolite compositions between obese and lean growing pigs using an NMR-based metabonomic approach.
J Nutr Biochem. 2011 Mar 21;
Authors: He Q, Ren P, Kong X, Wu Y, Wu G, Li P, Hao F, Tang H, Blachier F, Yin Y
Childhood obesity has become a prevalent risk to health of children and teenagers. To develop biomarkers in serum for altered lipid metabolism, genetically obese (Ningxiang strain) and lean...
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[NMR paper] In vivo 13C NMR metabolite profiling: potential for understanding and assessing conifer seed quality.
In vivo 13C NMR metabolite profiling: potential for understanding and assessing conifer seed quality.
Related Articles In vivo 13C NMR metabolite profiling: potential for understanding and assessing conifer seed quality.
J Exp Bot. 2005 Aug;56(418):2253-65
Authors: Terskikh VV, Feurtado JA, Borchardt S, Giblin M, Abrams SR, Kermode AR
High-resolution 13C MAS NMR spectroscopy was used to profile a range of primary and secondary metabolites in vivo in intact whole seeds of eight different conifer species native to North America, including six of...
[BMNRC community] NMR-based screening: a powerful tool in fragment-based drug discovery
NMR-based screening: a powerful tool in fragment-based drug discovery
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Nuclear magnetic resonance (NMR)-based drug metabolite profiling.
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