ChemInform Abstract: SPIN‐ECHO PROTON NMR SPECTROSCOPY: A NEW METHOD FOR STUDYING PENICILLIN METABOLISM

Everett, Jeremy R.; Jennings, Keith R.; Woodnutt, Gary; Buckingham, M. J.

doi:10.1002/chin.198447370

Cited by 6 publications

(7 citation statements)

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“…A large range of other drugs is amenable to study by similar NMR methods, and new drug metabolites have already been discovered in this way. 4,22 Rat urine. Rats are often used for experimental metabolic studies, but there are several notable differences between NMR spectra of human and rat urine.…”

Section: A N D Discussionmentioning

confidence: 99%

NMR studies of body fluids

1989

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High resolution, high frequency, in vitro, proton NMR spectra of various body fluids, including urine, sweat, aqueous humour, amniotic fluid, seminal plasma, cerebrospinal fluid, synovial fluid and blood plasma are described and discussed. Applications include the detection of metabolic disorders, investigations of the biochemical basis of drug and xenobiotic metabolism, organ damage, and diagnoses for sick babies. The determination of metabolite concentrations is straightforward for fluids with a low protein content such as urine. In fluids with a high protein content such as blood plasma, it is possible to detect not only small molecules but also mobile regions of macromolecules, and to demonstrate the interaction of anions such as lactate with proteins. It seems likely that these methods will soon become established in modern pathology laboratories.

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Section: A N D Discussionmentioning

confidence: 99%

NMR studies of body fluids

1989

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“…Multiplicity-editing spin-echo NMR experiments can also be used to distinguish between signals with different multiplicities and this can be helpful in metabolite identification. A good example is the use of spin-echo 1 H NMR in the identification of novel penicillin metabolites, where the characteristic singlet signals of the penicillin gem-dimethyl groups can be easily identified by Hahn spin-echo methods [53] , [54] . Many spectra do not obey first order requirements however and two main consequences arise from this; multiplicity intensities may be distorted, or in extreme cases additional lines may occur in the multiplets: see Section 2.6 below.…”

Section: Molecular Structure Information From 1d Nmr Spectra Of Metabmentioning

confidence: 99%

A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

Dona

Kyriakides

Scott

et al. 2016

Computational and Structural Biotechnology Journal

270

245

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Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

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“…[10] Metabolic profiling has proven enormously valuable in many areas of biology and medicine, including disease diagnosis, drug discovery and development, and the understanding of human biochemistry and physiology from a systems biology perspective. [9][10][11] The term metabonomics was coined in 1996 by Everett and Nicholson to provide a framework for a set of metabolic profiling experiments done in parallel with proteomics and transcriptomics studies, in a collaboration between Birkbeck College and Pfizer Global R & D on the discovery of early drug safety biomarkers. Metabonomics has the following interventional definition: "the quantitative measurement of the multiparametric metabolic response of living systems to pathophysiological stimuli or genetic modification."…”

Section: Metabolic Profiling: Metabonomics and Metabolomicsmentioning

confidence: 99%

NMR-based pharmacometabonomics: A new paradigm for personalised or precision medicine

Everett

2017

Progress in Nuclear Magnetic Resonance Spectroscopy

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Metabolic profiling by NMR spectroscopy or hyphenated mass spectrometry, known as metabonomics or metabolomics, is an important tool for systemsbased approaches in biology and medicine. The experiments are typically done in a diagnostic fashion where changes in metabolite profiles are interpreted as a consequence of an intervention or event; be that a change in diet, the administration of a drug, physical exertion or the onset of a disease. By contrast, pharmacometabonomics takes a prognostic approach to metabolic profiling, in order to predict the effects of drug dosing before it occurs. Differences in predose metabolite profiles between groups of subjects are used to predict postdose differences in response to drug administration. Thus the paradigm is inverted and pharmacometabonomics is the metabolic equivalent of pharmacogenomics. Although the field is still in its infancy, it is expected that pharmacometabonomics, alongside pharmacogenomics, will assist with the delivery of personalised or precision medicine to patients, which is a critical goal of 21 st century healthcare. Highlights metabonomics or metabolomics involves metabolic profiling by NMR or MS methods  metabonomics is used in a diagnostic mode to study the effects of an intervention  pharmacometabonomics is a prognostic method to predict the effects of drugs  pharmacometabonomics is a special case of predictive metabonomics  pharmacometabonomics will help to deliver personalised medicine in the future Graphical AbstractNMR-Based Pharmacometabonomics PNMRS 2017

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ChemInform Abstract: SPIN‐ECHO PROTON NMR SPECTROSCOPY: A NEW METHOD FOR STUDYING PENICILLIN METABOLISM

Cited by 6 publications

References 1 publication

NMR studies of body fluids

NMR studies of body fluids

A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

NMR-based pharmacometabonomics: A new paradigm for personalised or precision medicine

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