Liquid chromatography-mass spectrometric analysis of urinary metabolites and their pattern recognition for the prediction of drug-induced hepatotoxicity

Chemical Research in Toxicology

Volumn 18, Issue 12, 2005, Pages 1887-1896

  La, Sookie ^a   Yoo, Hye Hyun ^a   Kim, Dong Hyun ^a  

^a Korea Institute of Science and Technology   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

1 NAPHTHYL ISOTHIOCYANATE; CARBON TETRACHLORIDE; DICLOFENAC; DRUG; DRUG METABOLITE; PARACETAMOL; TOXIN; UNCLASSIFIED DRUG; URINARY DRUG METABOLITE;

ANALYTIC METHOD; ANIMAL MODEL; ARTICLE; CONTROLLED STUDY; DISCRIMINANT ANALYSIS; DRUG INDUCED DISEASE; ELECTROSPRAY MASS SPECTROMETRY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; LIQUID CHROMATOGRAPHY; LIVER TOXICITY; MALE; MASS SPECTROMETRY; MATHEMATICAL MODEL; MULTIVARIATE ANALYSIS; NONHUMAN; PATTERN RECOGNITION; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; RAT; SOFT INDEPENDENT MODELING OF CLASS ANALOGY WITH RESIDUAL DISTANCE; URINALYSIS; Z SCORE TRANSFORMATION;

1-NAPHTHYLISOTHIOCYANATE; ACETAMINOPHEN; ALGORITHMS; ANIMALS; CARBON TETRACHLORIDE; CHROMATOGRAPHY, LIQUID; COMPUTER SIMULATION; DICLOFENAC; LIVER; MALE; MASS SPECTROMETRY; RATS; STRUCTURE-ACTIVITY RELATIONSHIP;

ANIMALIA;

EID: 29644443175     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx050187d     Document Type: Article

References (30)

1. Nicholson, J. K., Connelly J., Lindon, J. C., and Homes, E. (2002) Metabonomics: A platform for studying drug toxicity and gene function. Nat. Rev. 1, 153-161.
2. Kenney, B., and Shockcor, J. P. (2003) Complementary NMR and LC-MS technologies for metabonomic studies. Pharmagenomics Nov (1), 56-63.
3. Holmes, E., Bonner, F. W., Sweatman, B. C., Lindon, J. C., Beddell, C. R., Rahr, E., and Nicholson, J. K. (1992) Nuclear magnetic resonance spectroscopy and pattern recognition analysis of the biochemical processes associated with the progression of and recovery from nephrotoxic lesions in the rat induced by mercury(II) chloride and 2-bromoethanamine. Mol. Pharmacol. 42, 922-930.
4. Beckwith-Hall, B. M., Nicholson, J. K., Nicholls, A. W., Foxall, P. J., Lindon, J. C., Connor, S. C., Abdi, M., Connelly, J., and Holmes, E. (1998) Nuclear magnetic resonance spectroscopic and principal component analysis investigations into biochemical effects of three hepatotoxins. Chem. Res. Toxicol. 11, 260-272.
5. Lindon, J. C., Homes, E., and Nicholson, J. K. (2003) So what is the deal with metabonomics? Anal. Chem. 75 (17), 385A-391A.
6. Waters, N. J., Homes, E., Williams, A., Watrfield, C. J., Farrant, D., and Nicholson, J. K. (2001) NMR and pattern recognition studies on the time-related metabolic effects of α-naphthylisothiocyanate on.liver, urine, and plasma in the rat: An integrative metabonomic approach. Chem. Res. Toxicol. 14, 1401-1412.
7. Mortishire-Smith, R. J., Skiles, G. L., Lawrence, J. W., Spence, S., Nicholls, A. W., Johnson, B. A., and Nicholson, J. K. (2004) Use of metabonomics to identify impaired fatty acid metabolism as the mechanism of a drug-induced toxicity. Chem. Res. Toxicol. 17, 165-173.
8. 31P NMR studies with D-serine in rat urine and kidney, time- and dose-related metabolic effects. Chem. Res. Toxicol. 16, 1207-1216.
9. Plumb, R. S., Stumpf, C. L., Gorenstein, M. V., Castro-Perez, J. M., Dear, G. J., Anthony, M., Sweatman, B. C., Connor, S. C., and Haselden, J. N. (2003) Metabonomics: The use of electrospray mass spectrometry coupled to reverse-phase liquid chromatography shows potential for the screening of rat urine in drug development. Rapid Commun. Mass Spectrom. 17, 2541-2549.
10. Plumb, R. S., Granger, J., Stumpf, C., Wilson, I. D., Evans, J. A., and Lenz, E. M. (2003) Metabonomic analysis of mouse urine by liquid-chromatography- time-of-flight mass spectrometry (LC/TOFMS): Detection of strain, diurnal and gender differences. Analyst 128, 819-823.
11. Rhodes, G., Miller, M., McConnell, M. L., and Novotny, M. (1981) Metabolic abnormalities associated with diabetes mellitus, as investigated by gas chromatography and pattern-recognition analysis of profiles of volatile metabolites. Clin. Chem. 27, 580-585.
12. Jellum, E., Harboe, M., Bjune, G., and Wold, S. (1991) Interpreting complicated Chromatographic patterns. J. Pharm. Biomed. Anal. 9, 663-669.
13. Azmi, J., Griffin, J. L., Antti, H., Shore, R. F., Johnson, E., Nicholson, J. K., and Homes, E. (2002) Metabolic trajectory characterization of xenobiotics-induced hepatotoxin lesions using statistical batch processing of NMR data. Analyst 127, 271-276.
14. Tate, A. R., Damment, S. J. P., and Lindon, J. C. (2001) Investigation of the metabolite variation in control rat urine using 1H NMR spectroscopy, Anal. Biochem. 291, 17-26.
15. Brindle, J. T., Nicholson, J. K., Schofield, P. M., Grainger, D. J., and Homes, E. (2003) Application of chemometrics to 1H NMR spectroscopic data to investigation a relationship between human serum metabolic profiles and hypertension. Analyst 128, 32-36.
16. Homes, E., Nicholson, J. K., and Tranter, G. (2001) Metabonomic characterization of genetic variations in lexicological and metabolic responses using probabilistic neural networks. Chem. Res. Toxicol. 14, 182-191.
17. Homes, E., and Antti, H. (2002) Chemometric contributions to the evolution of metabonomics: Mathematical solutions to characterizing and interpreting complex biological NMR spectra. Analyst 127, 1549-1557.
18. Keun, H. C., Ebbels, T. M. D., Antti, H., Bollard, M. E., Beckonert, O., Holmes, E., Lindon, J. C., and Nicholson, J. K. (2003) Improved analysis of multivariate data by variable stability scaling; application to NMR-based metabolic profiling. Anal. Chim. Acta 490, 265-276.
19. Beckwith-Hall, B. M., Holmes, E., Lindon, J. C., Gounarides, J., Vickers, A., Shapiro, M., and Nicholson, J. K. (2002) NMR-based metabonomic studies on the biochemical effects of commonly used drug carrier vehicles in the rat. Chem. Res. Toxicol. 15, 1136-1141.
20. Moslen, M. T. (1996) Toxic response of liver. In Casarett and Doull's Toxicology: The Basic Science of Poisons, 5th ed. (Kassen, C. D., Amdur, M. O., and Doull, J. D., Eds.) pp 403-415, McGraw-Hill, New York.
21. Coen, M., Ruepp, S. U., Lindon, J. C., Nicholson, J. K., Pognan, F., Lenz, E. M., and Wilson, I. D. (2004) Integrated application of trasncriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse. J. Pharm. Biomed. 35, 93-105.
22. Guder, W. G., Hoffmann, G. E., Hubbuch, A., Poppe, W. A., Siedel, J., and Price, C. P. (1986) Multicentre evaluation of an enzymatic method for creatinine determination using a sensitive colour reagent. J. Clin. Chem. Clin. Biochem. 24, 889-902.
23. Vapnik, V. N. (1998) Statistical learning theory. Wiley Series on Adaptive and Learning Systems for Signal Processing, Communications and Control, Wiley, New York.
24. Webb-Robertson, B. J., Lowry, D. F., Jarman, K. H., Harbo, S. J., Meng, Q. R., Fuciarelli, A. F., Pounds, J. G., and Lee, K. M. (2005) A Study of spectral integration and normalization in NMR-based metabonomic analyses. J. Pharm. Biomed. Anal. 39, 830-836.
25. Beckonert, O., Bollard, M. E., Ebbels, T. M. D., Keun, H. C., Antti, H., Holmes, E., Lindon, J. C., and Nicholson, J. K. (2003) NMR-based metabonomic toxicity classification: Hierarchical cluster analysis and k-nearest-neighbour approaches. Anal. Chim. Acta 490, 3-15.
26. Clayton, T. A., Lindon, J. C., Everett, J. R., Charuel, C., Hanton, G., Le Net, J.-L., Provost, J.-P., and Nicholson, J. M. (2003) An hypothesis for ad mechanism underlying hepatotoxin-induced hypercreatinuria. Arch. Toxicol. 77, 208-207.
27. Nicholls, A. W., Nicholson, J. K., Haselden, J. N., and Waterfield, C. J. (2000) A metabonomic approach to the investigation of drug-induced phospholipidosis: An NMR spectroscopy and pattern recognition study. Biomakers 5, 410-423.
28. Phipps, A. N., Wright, B., Stewart, J., and Wilson, I. D. (1997) Use of proton NMR for determining changes in metabolite excretion profiles induced by dietary changes in the rat. Pharm. Sci. 3(3), 143-146.
29. Gregersen, N., Mortensen, P. B., and Koelvraa, S. (1983) On the biologic origin of C6-C10-dicarboxylic and C6-C10-ω-1-hydroxy monocarboxylic acids in human and rat with acyl-CoA dehydrogenation deficiencies: In vitro studies on the ω- and ω-1-oxidation of medium-chain (C6-C12) fatty acids in human and rat liver. Pediatr. Res. 17 (10), 828-834.
30. Boelsterli, U. A. (2003) Diclofenac-induced liver injury: a paradigm of idiosyncratic drug toxicity. Toxicol. Appl. Pharmacol. 192 (3), 307-322.