(Q37249682)

19 August 2017

1 reference

title

Applications of metabolomics in drug discovery and development (English)

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19 August 2017

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1 reference

David S Wishart

1

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publication date

1 January 2008

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19 August 2017

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19 August 2017

volume

9

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19 August 2017

issue

5

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19 August 2017

page(s)

307-322

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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

19 August 2017

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Modulation factors of oxidative status in stable renal transplantation

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Complete assignments of the (1)H and (13)C chemical shifts and J(H,H) coupling constants in NMR spectra of D-glucopyranose and all D-glucopyranosyl-D-glucopyranosides

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Molecular formula analysis by an MS/MS/MS technique to expedite dereplication of natural products

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5 May 2024

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Quantification of mycophenolic acid and glucuronide metabolite in human serum by HPLC-tandem mass spectrometry

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5 May 2024

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Virtual screening of Chinese herbs with Random Forest

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5 May 2024

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Vioxx, the implosion of Merck, and aftershocks at the FDA.

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5 May 2024

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MSE with mass defect filtering for in vitro and in vivo metabolite identification

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5 May 2024

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Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments

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5 May 2024

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Utility of mass spectrometry for in-vitro ADME assays

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5 May 2024

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Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis

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Possible drug-metabolism interactions of medicinal herbs with antiretroviral agents

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5 May 2024

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LC-MS-based metabolomics in drug metabolism

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5 May 2024

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Diagnosis of breast cancer using HPLC metabonomics fingerprints coupled with computational methods

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5 May 2024

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Combined computational metabolite prediction and automated structure-based analysis of mass spectrometric data

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Substantial sulfatide deficiency and ceramide elevation in very early Alzheimer's disease: potential role in disease pathogenesis

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Evaluation of metabolite profiles as biomarkers for the pharmacological effects of thiazolidinediones in Type 2 diabetes mellitus patients and healthy volunteers

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Natural products as sources of new drugs over the last 25 years

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

The use of radiolabeled compounds for ADME studies in discovery and exploratory development

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabonomics in pharmaceutical discovery and development.

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabolic profiling of patients with schizophrenia

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: the consortium on metabonomic toxicology screening approach

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1021/PR0703021

Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Liquid chromatography-tandem mass spectrometry analysis of erythrocyte thiopurine nucleotides and effect of thiopurine methyltransferase gene variants on these metabolites in patients receiving azathioprine/6-mercaptopurine therapy

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

SyGMa: combining expert knowledge and empirical scoring in the prediction of metabolites

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Microbial metabolomics: toward a platform with full metabolome coverage.

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Chemometrics in metabonomics.

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5 May 2024

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Incidence of adverse drug reactions in hospitalized patients: a meta-analysis of prospective studies

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabolomics by proton nuclear magnetic resonance spectroscopy of the response to chloroethylnitrosourea reveals drug efficacy and tumor adaptive metabolic pathways

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

A metabolomic approach to the metabolism of the areca nut alkaloids arecoline and arecaidine in the mouse

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Pharmacogenetic testing: proofs of principle and pharmacoeconomic implications

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5 May 2024

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Automated software-guided identification of new buspirone metabolites using capillary LC coupled to ion trap and TOF mass spectrometry

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Supercritical fluid chromatography-tandem mass spectrometry for fast bioanalysis of R/S-warfarin in human plasma

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5 May 2024

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Recent methodology in the phytochemical analysis of ginseng.

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5 May 2024

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Proton nuclear magnetic resonance spectroscopy of body fluids in the field of inborn errors of metabolism.

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5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabolite projection analysis for fast identification of metabolites in metabonomics. Application in an amiodarone study.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

A metabonomic investigation of the biochemical effects of mercuric chloride in the rat using 1H NMR and HPLC-TOF/MS: time dependent changes in the urinary profile of endogenous metabolites as a result of nephrotoxicity

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Development of a multivariate statistical model to predict peroxisome proliferation in the rat, based on urinary 1H-NMR spectral patterns

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Glucose metabolism in renal transplant recipients: effect of calcineurin inhibitor withdrawal and conversion to sirolimus

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Analytical strategies for identifying drug metabolites

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Application of metabonomics in drug development

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Microbial metabolomics: past, present and future methodologies

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

From genomics to chemical genomics: new developments in KEGG

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabolomic mapping of atypical antipsychotic effects in schizophrenia.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Potential drug targets in Mycobacterium tuberculosis through metabolic pathway analysis

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Measuring the metabolome: current analytical technologies

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Analysis of the cardiovascular risk profile in stable kidney transplant recipients after 50% cyclosporine reduction

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Biomarkers for toxicodynamic monitoring of immunosuppressants: NMR-based quantitative metabonomics of the blood

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

D-Serine-induced nephrotoxicity: a HPLC-TOF/MS-based metabonomics approach

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Predicting drug metabolism--an evaluation of the expert system METEOR.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Noninvasive human metabolome analysis for differential diagnosis of inborn errors of metabolism

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Hypocitraturia as a risk factor for nephrocalcinosis after kidney transplantation

0 references

Matching unknown empirical formulas to chemical structure using LC/MS TOF accurate mass and database searching: example of unknown pesticides on tomato skins

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

A rapid and facile method for the dereplication of purified natural products

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Improving early drug discovery through ADME modelling: an overview

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Prediction of drug degradants using DELPHI: an expert system for focusing knowledge

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Detection of epithelial ovarian cancer using 1H-NMR-based metabonomics

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Application of chemometrics to 1H NMR spectroscopic data to investigate a relationship between human serum metabolic profiles and hypertension

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Valdecoxib withdrawal leaves pain relief treatment gap.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non-peptidic combinatorial compounds.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabonomic assessment of vasculitis in rats

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Detection of urinary drug metabolite (xenometabolome) signatures in molecular epidemiology studies via statistical total correlation (NMR) spectroscopy.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

High-performance liquid chromatography separations coupled with coulometric electrode array detectors: a unique approach to metabolomics

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

The price of innovation: new estimates of drug development costs

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabolomic profiling to develop blood biomarkers for Parkinson's disease

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Targeted profiling: quantitative analysis of 1H NMR metabolomics data

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

A long-term study on hyperlipidemia in stable renal transplant recipients

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabonomics in pharmaceutical R&D.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Stable isotope assisted assignment of elemental compositions for metabolomics

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Discovering the hidden secondary metabolome of Myxococcus xanthus: a study of intraspecific diversity

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabonomics technologies and their applications in physiological monitoring, drug safety assessment and disease diagnosis

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

The impact of the CYP2D6-polymorphism on dose recommendations for current antidepressants

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Influence of cyclosporine and tacrolimus on serum uric acid levels in stable kidney transplant recipients

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Determination of cyclosporine and its metabolites in blood via HPLC-MS and correlation to clinically important parameters

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

In vivo labeling with stable isotopes as a tool for the identification of unidentified peaks in the metabolome analysis of Corynebacterium glutamicum by GC/MS.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

A liquid chromatography-mass spectrometry-based metabolome database for tomato

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabonomics: a platform for studying drug toxicity and gene function

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Metabonomics with 1H-NMR spectroscopy and liquid chromatography-mass spectrometry applied to the investigation of metabolic changes caused by gentamicin-induced nephrotoxicity in the rat.

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

The metabolites citrate, myo-inositol, and spermine are potential age-independent markers of prostate cancer in human expressed prostatic secretions

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Phytochemical databases of Chinese herbal constituents and bioactive plant compounds with known target specificities

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Validation of the five-drug "Pittsburgh cocktail" approach for assessment of selective regulation of drug-metabolizing enzymes

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Urinary flavonoids and phenolic acids as biomarkers of intake for polyphenol-rich foods

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Recent developments in automated structure elucidation of natural products

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.2165/00126839-200809050-00002

Identifiers

DOI

10.2165/00126839-200809050-00002

1 reference

19 August 2017

1 reference