A metabonomic approach for mechanistic exploration of pre-clinical toxicology

Toxicology

Volumn 278, Issue 3, 2010, Pages 326-340

  Coen, Muireann ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Galactosamine; Hepatotoxicity; Mass spectrometry; Mechanism; Metabonomics; NMR spectroscopy

Indexed keywords

AMINOSUGAR; BILE ACID; GALACTOSAMINE; GLYCINE; URIDINE;

BODY FLUID; HISTOPATHOLOGY; HUMAN; LIVER METABOLISM; LIVER NECROSIS; LIVER TOXICITY; METABOLOMICS; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; REVIEW; ULTRA PERFORMANCE LIQUID CHROMATOGRAPHY;

DRUG EVALUATION, PRECLINICAL; GALACTOSAMINE; GLYCINE; LIVER; MAGNETIC RESONANCE SPECTROSCOPY; MASS SPECTROMETRY; METABOLOME; METABOLOMICS; PROTECTIVE AGENTS; TOXICITY TESTS;

ANIMALIA;

EID: 78649724181     PISSN: 0300483X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tox.2010.07.022     Document Type: Review

References (134)

1. Abdul-Hussain S.K., Mehendale H.M. Studies on the age-dependent effects of galactosamine in primary rat hepatocyte cultures. Toxicol. Appl. Pharmacol. 1991, 107:504-513.
2. Abdul-Hussain S.K., Mehendale H.M. Ongoing hepatocellular regeneration and resiliency toward galactosamine hepatotoxicity. Arch. Toxicol. 1992, 66:729-742.
3. Beckonert O., et al. Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts. Nat. Protoc. 2007, 2:2692-2703.
4. Beckonert O., et al. High-resolution magic-angle-spinning NMR spectroscopy for metabolic profiling of intact tissues. Nat. Protoc. 2010, 5:1019-1032.
5. Beckwith-Hall, B., 1998. PhD Thesis. University of London.
6. Beckwith-Hall B.M., et al. Nuclear magnetic resonance spectroscopic and principal components analysis investigations into biochemical effects of three model hepatotoxins. Chem. Res. Toxicol. 1998, 11:260-272.
7. Bictash M., et al. Opening up the "Black Box": metabolic phenotyping and metabolome-wide association studies in epidemiology. J. Clin. Epidemiol. 2010, 63:970-979.
8. Bohus E., et al. Temporal metabonomic modeling of l-arginine-induced exocrine pancreatitis. J. Proteome Res. 2008, 7:4435-4445.
9. Brinkkotter A., et al. Pathways for the utilization of N-acetyl-galactosamine and galactosamine in Escherichia coli. Mol. Microbiol. 2000, 37:125-135.
10. Chan E.C., et al. Metabolic profiling of human colorectal cancer using high-resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy and gas chromatography mass spectrometry (GC/MS). J. Proteome Res. 2009, 8:352-361.
11. Claus S.P., et al. Systemic multicompartmental effects of the gut microbiome on mouse metabolic phenotypes. Mol. Syst. Biol. 2008, 4:219.
12. Clayton, T.A., 2001. PhD Thesis. University of London.
13. Clayton T.A., et al. Pharmaco-metabonomic phenotyping and personalized drug treatment. Nature 2006, 440:1073-1077.
14. Clayton T.A., et al. Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism. Proc. Natl. Acad. Sci. U.S.A. 2009, 106:14728-14733.
15. 1H NMR spectroscopic metabonomic studies. Anal. Chem. 2005, 77:517-526.
16. Cloarec O., et al. Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets. Anal. Chem. 2005, 77:1282-1289.
17. Cloarec O., et al. Virtual chromatographic resolution enhancement in cryoflow LC-NMR experiments via statistical total correlation spectroscopy. Anal. Chem. 2007, 79:3304-3311.
18. Coen M., et al. An integrated metabonomic investigation of acetaminophen toxicity in the mouse using NMR spectroscopy. Chem. Res. Toxicol. 2003, 16:295-303.
19. 1H magic-angle-spinning NMR spectroscopy: interaction between p-xylene and C18-bonded silica. Anal. Chem. 2004, 76:3023-3028.
20. Coen M., et al. Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse. J. Pharm. Biomed. Anal. 2004, 35:93-105.
21. Coen M., et al. Proton nuclear magnetic resonance-based metabonomics for rapid diagnosis of meningitis and ventriculitis. Clin. Infect. Dis. 2005, 41:1582-1590.
22. Coen M., et al. The mechanism of galactosamine toxicity revisited; a metabonomic study. J. Proteome Res. 2007, 6:2711-2719.
23. 31P statistical total correlation NMR spectroscopy of intact liver for metabolic biomarker assignment: application to galactosamine-induced hepatotoxicity. Anal. Chem. 2007, 79:8956-8966.
24. Coen M., et al. NMR-based metabolic profiling and metabonomic approaches to problems in molecular toxicology. Chem. Res. Toxicol. 2008, 21:9-27.
25. Coen M., et al. Mechanistic aspects and novel biomarkers of responder and non-responder phenotypes in galactosamine-induced hepatitis. J. Proteome Res. 2009, 8:5175-5187.
26. 1H-NMR spectral patterns. Biomarkers 2004, 9:364-385.
27. Corcoran O., Spraul M. LC-NMR-MS in drug discovery. Drug Discov. Today 2003, 8:624-631.
28. Couto Alves A., et al. Analytic properties of statistical total correlation spectroscopy based information recovery in (1)H NMR metabolic data sets. Anal. Chem. 2009, 81:2075-2084.
29. Craig A., et al. Systems toxicology: integrated genomic, proteomic and metabonomic analysis of methapyrilene induced hepatotoxicity in the rat. J. Proteome Res. 2006, 5:1586-1601.
30. Decker K., Keppler D. Galactosamine induced liver injury. Prog. Liver Dis. 1972, 4:183-199.
31. Decker K., Keppler D. Galactosamine hepatitis: key role of the nucleotide deficiency period in the pathogenesis of cell injury and cell death. Rev. Physiol. Biochem. Pharmacol. 1974, 71:77-106.
32. Decker K., et al. Cell damage by trapping of biosynthetic intermediates. The role of uracil nucleotides in experimental hepatitis. Hoppe Seylers Z. Physiol. Chem. 1971, 352:412-418.
33. Decker K., et al. The regulation of pyrimidine nucleotide level and its role in experimental hepatitis. Adv. Enzyme Regul. 1973, 11:205-230.
34. + pathway metabolites as putative biomarkers and predictors of peroxisome proliferation. Arch. Toxicol. 2005, 79:208-223.
35. 1H NMR metabonomics. Anal. Chem. 2006, 78:4281-4290.
36. 1H NMR spectroscopy. Anal. Chem. 2005, 77:5570-5578.
37. 1H NMR spectroscopy, HPLC-NMR/MS and UPLC-MS. Mol. Biosyst. 2009, 5:180-190.
38. Ebbels T.M.D., et al. Toxicity classification from metabonomic data using a density superposition approach: 'CLOUDS'. Anal. Chim. Acta 2003, 490:109-122.
39. Ebbels T.M., et al. Prediction and classification of drug toxicity using probabilistic modeling of temporal metabolic data: the consortium on metabonomic toxicology screening approach. J. Proteome Res. 2007, 6:4407-4422.
40. Endo Y., et al. Enhancement by galactosamine of lipopolysaccharide(LPS)-induced tumour necrosis factor production and lethality: its suppression by LPS pretreatment. Br. J. Pharmacol. 1999, 128:5-12.
41. Eriksson L., et al. Using chemometrics for navigating in the large data sets of genomics, proteomics, and metabonomics (gpm). Anal. Bioanal. Chem. 2004, 380:419-429.
42. Ewaschuk J., et al. Probiotic bacteria prevent hepatic damage and maintain colonic barrier function in a mouse model of sepsis. Hepatology 2007, 46:841-850.
43. Fonville J.M., et al. Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification. Anal. Chem. 2010, 82:1811-1821.
44. Frey P.A. The Leloir pathway: a mechanistic imperative for three enzymes to change the stereochemical configuration of a single carbon in galactose. FASEB J. 1996, 10:461-470.
45. Galanos C., et al. Galactosamine-induced sensitization to the lethal effects of endotoxin. Proc. Natl. Acad. Sci. U.S.A. 1979, 76:5939-5943.
46. Gartland K.P., et al. Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data. NMR Biomed. 1990, 3:166-172.
47. Gartland K.P., et al. Application of pattern recognition methods to the analysis and classification of toxicological data derived from proton nuclear magnetic resonance spectroscopy of urine. Mol. Pharmacol. 1991, 39:629-642.
48. Gika H.G., et al. High temperature-ultra performance liquid chromatography-mass spectrometry for the metabonomic analysis of Zucker rat urine. J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. 2008, 871:279-287.
49. Graca G., et al. (1)H NMR based metabonomics of human amniotic fluid for the metabolic characterization of fetus malformations. J. Proteome Res. 2009, 8:4144-4150.
50. Gregus Z., et al. Effect of galactosamine-induced hepatic UDP-glucuronic acid depletion on acetaminophen elimination in rats. Dispositional differences between hepatically and extrahepatically formed glucuronides of acetaminophen and other chemicals. Drug Metab. Dispos. 1988, 16:527-533.
51. Holmes E., et al. Mapping the biochemical trajectory of nephrotoxicity by pattern recognition of NMR urinanalysis. NMR Biomed. 1992, 5:368-372.
52. Holmes E., et al. The application of NMR-based metabonomics in neurological disorders. NeuroRx 2006, 3:358-372.
53. Holmes E., et al. Probing latent biomarker signatures and in vivo pathway activity in experimental disease states via statistical total correlation spectroscopy (STOCSY) of biofluids: application to HgCl2 toxicity. J. Proteome Res. 2006, 5:1313-1320.
54. Holmes E., et al. Detection of urinary drug metabolite (xenometabolome) signatures in molecular epidemiology studies via statistical total correlation (NMR) spectroscopy. Anal. Chem. 2007, 79:2629-2640.
55. Holmes E., et al. Human metabolic phenotype diversity and its association with diet and blood pressure. Nature 2008, 453:396-400.
56. Holmes E., et al. Metabolic phenotyping in health and disease. Cell 2008, 134:714-717.
57. 1H MAS NMR liver tissue spectra exemplified using a study of glycine protection of galactosamine toxicity. Magn. Reson. Chem. 2009, 47(Suppl. 1):S47-S53.
58. Horowitz M.I. Nonenzymatic modifications of amino sugars in vitro. Arch. Biochem. Biophys. 1991, 288:317-323.
59. Huang J.T., et al. CSF metabolic and proteomic profiles in patients prodromal for psychosis. PLoS One 2007, 2:e756.
60. Jackson J.E.A. A Users Guide to Principal Components 1991, Wiley, New York.
61. Johnson C.H., et al. Kinetic and J-resolved statistical total correlation NMR spectroscopy approaches to structural information recovery in complex reacting mixtures: application to acyl glucuronide intramolecular transacylation reactions. Anal. Chem. 2008, 80:4886-4895.
62. Kasravi F.B., et al. The effect of pretreatment with endotoxin and lactobacillus on bacterial translocation in acute liver injury. Eur. J. Surg. 1996, 162:537-544.
63. Kasravi F.B., et al. Effect of oral supplementation of lactobacilli on bacterial translocation in acute liver injury induced by d-galactosamine. J. Hepatol. 1997, 26:417-424.
64. Keppler D., Decker K. Studies on the mechanism of galactosamine-1-phosphate and its inhibition of UDP-glucose pyrophosphorylase. Eur. J. Biochem. 1969, 10:219-225.
65. Keppler D., et al. Experimental hepatitis induced by d-galactosamine. Exp. Mol. Pathol. 1968, 9:279-290.
66. Keppler D.O., et al. The trapping of uridine phosphates by d-galactosamine. d-Glucosamine, and 2-deoxy-d-galactose. A study on the mechanism of galactosamine hepatitis. Eur. J. Biochem. 1970, 17:246-253.
67. Keppler D., et al. Orotate prevents galactosamine hepatitis. Hoppe Seylers Z. Physiol. Chem. 1970, 351:102-104.
68. Keppler D.O., et al. Selective uridine triphosphate deficiency induced by d-galactosamine in liver and reversed by pyrimidine nucleotide precursors. Effect on ribonucleic acid synthesis. J. Biol. Chem. 1974, 249:211-216.
69. Keun H.C., et al. Cryogenic probe (13C) NMR spectroscopy of urine for metabonomic studies. Anal. Chem. 2002, 74:4588-4593.
70. Keun H.C., et al. Analytical reproducibility in (1)H NMR-based metabonomic urinalysis. Chem. Res. Toxicol. 2002, 15:1380-1386.
71. Keun H.C., et al. Geometric trajectory analysis of metabolic responses to toxicity can define treatment specific profiles. Chem. Res. Toxicol. 2004, 17:579-587.
72. Keun H.C., et al. Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation. Anal. Chem. 2008, 80:1073-1079.
73. Kinross J., et al. The gut microbiota as a target for improved surgical outcome and improved patient care. Curr. Pharm. Des. 2009, 15:1537-1545.
74. Kmiec Z., et al. The effects of galactosamine on UTP levels in the livers of young, adult and old rats. Acta Biochim. Pol. 2000, 47:349-353.
75. Koff R.S., et al. d-Galactosamine hepatotoxicity. II. Mechanism of fatty liver production. Proc. Soc. Exp. Biol. Med. 1971, 138:89-92.
76. Ledl F., et al. Chemical pathways of the Maillard reaction. Prog. Clin. Biol. Res. 1989, 304:23-42.
77. 1H-NMR spectroscopy and liquid chromatography-mass spectrometry applied to the investigation of metabolic changes caused by gentamicin-induced nephrotoxicity in the rat. Biomarkers 2005, 10:173-187.
78. Li L.J., et al. Changes of gut flora and endotoxin in rats with d-galactosamine-induced acute liver failure. World J. Gastroenterol. 2004, 10:2087-2090.
79. Li H., et al. Pharmacometabonomic phenotyping reveals different responses to xenobiotic intervention in rats. J. Proteome Res. 2007, 6:1364-1370.
80. Li Y.T., et al. Effects of gut microflora on hepatic damage after acute liver injury in rats. J. Trauma 2010, 68:76-83.
81. Lindon J.C., et al. Directly coupled HPLC-NMR and its application to drug metabolism. Drug Metab. Rev. 1997, 29:705-746.
82. Lindon J.C., et al. Contemporary issues in toxicology the role of metabonomics in toxicology and its evaluation by the COMET project. Toxicol. Appl. Pharmacol. 2003, 187:137-146.
83. Lindon J.C., et al. The Consortium for Metabonomic Toxicology (COMET): aims, activities and achievements. Pharmacogenomics 2005, 6:691-699.
84. Lindon J.C., et al. Metabonomics techniques and applications to pharmaceutical research & development. Pharm. Res. 2006, 23:1075-1088.
85. Lindon J.C., et al. Metabonomics in pharmaceutical R&D. FEBS J. 2007, 274:1140-1151.
86. Lindon J.C., et al. High-resolution magic angle spinning NMR spectroscopy: application to biomedical studies. Prog. Nucl. Mag. Res. 2009, 55:79-100.
87. Loo R.L., et al. Metabolic profiling and population screening of analgesic usage in nuclear magnetic resonance spectroscopy-based large-scale epidemiologic studies. Anal. Chem. 2009, 81:5119-5129.
88. Lynch M.J., et al. Ultra high field NMR spectroscopic studies on human seminal fluid, seminal vesicle and prostatic secretions. J. Pharm. Biomed. Anal. 1994, 12:5-19.
89. Maher A.D., et al. Seminal oligouridinosis: low uridine secretion as a biomarker for infertility in spinal neurotrauma. Clin. Chem. 2008, 54:2063-2066.
90. 1H NMR kinetic statistical total correlation spectroscopy. Anal. Chem. 2009, 81:288-295.
91. Martin F.P., et al. A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model. Mol. Syst. Biol. 2007, 3:112.
92. Martin F.P., et al. Panorganismal gut microbiome-host metabolic crosstalk. J. Proteome Res. 2009, 8:2090-2105.
93. Martin F.P., et al. Topographical variation in murine intestinal metabolic profiles in relation to microbiome speciation and functional ecological activity. J. Proteome Res. 2009, 8:3464-3474.
94. Medline A., et al. Ultrastructural features in galactosamine-induced hepatitis. Exp. Mol. Pathol. 1970, 12:201-211.
95. Nelson T.R., et al. High resolution proton NMR spectroscopy of human amniotic fluid. Prenat. Diagn. 1987, 7:363-372.
96. Nicholson J.K. Global systems biology, personalized medicine and molecular epidemiology. Mol. Syst. Biol. 2006, 2:52.
97. Nicholson J.K., Wilson I.D. High resolution nuclear magnetic resonance spectroscopy of biological samples as an aid to drug development. Prog. Drug Res. 1987, 31:427-479.
98. Nicholson J.K., et al. 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica 1999, 29:1181-1189.
99. Nicholson J.K., et al. Metabonomics: a platform for studying drug toxicity and gene function. Nat. Rev. Drug Discov. 2002, 1:153-161.
100. Nicholson J.K., et al. Gut microorganisms, mammalian metabolism and personalized health care. Nat. Rev. Microbiol. 2005, 3:431-438.
101. Osman N., et al. Endotoxin- and d-galactosamine-induced liver injury improved by the administration of Lactobacillus, Bifidobacterium and blueberry. Dig. Liver Dis. 2007, 39:849-856.
102. Plumb R.S., et al. A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice. Analyst 2005, 130:844-849.
103. Plumb R.S., et al. A rapid simple approach to screening pharmaceutical products using ultra-performance LC coupled to time-of-flight mass spectrometry and pattern recognition. J. Chromatogr. Sci. 2008, 46:193-198.
104. Reutter W., Reynolds R. Inhibition of induction of tyrosine aminotransferase following administration of d-galactosamine. Hoppe Seylers Z. Physiol. Chem. 1972, 353:1561.
105. Reutter W., et al. On the mechanism of action of galactosamine: different response to d-galactosamine of rat liver during development. Naturwissenschaften 1970, 57:674-675.
106. Reynolds R.D., Reutter W. Inhibition of induction of rat liver tyrosine aminotransferase by d-galactosamine. J. Biol. Chem. 1973, 248:1562-1567.
107. Rezzi S., et al. Human metabolic phenotypes link directly to specific dietary preferences in healthy individuals. J. Proteome Res. 2007, 6:4469-4477.
108. 1H nuclear magnetic resonance and high performance liquid chromatography. Biomarkers 2003, 8:240-271.
109. Robinette S.L., et al. Cluster analysis statistical spectroscopy using nuclear magnetic resonance generated metabolic data sets from perturbed biological systems. Anal. Chem. 2009, 81:6581-6589.
110. 1H NMR spectra of biofluids: application to drug metabolite profile identification and enhanced information recovery. Anal. Chem. 2009, 81:6458-6466.
111. Sidelmann U.G., et al. Directly coupled HPLC-NMR and HPLC-MS approaches for the rapid characterisation of drug metabolites in urine: application to the human metabolism of naproxen. J. Pharm. Biomed. Anal. 2001, 24:569-579.
112. Smith L.M., et al. Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples. Anal. Chem. 2007, 79:5682-5689.
113. So, P.W., 1996. PhD Thesis. University of London.
114. 1H NMR spectroscopy for drug metabolite detection and characterization: the identification of paracetamol metabolites in urine and bile. NMR Biomed. 1994, 7:295-303.
115. Spraul M., et al. Advancing NMR sensitivity for LC-NMR-MS using a cryoflow probe: application to the analysis of acetaminophen metabolites in urine. Anal. Chem. 2003, 75:1536-1541.
116. Stachlewitz R.F., et al. Glycine and uridine prevent d-galactosamine hepatotoxicity in the rat: role of Kupffer cells. Hepatology 1999, 29:737-745.
117. Stella C., et al. Susceptibility of human metabolic phenotypes to dietary modulation. J. Proteome Res. 2006, 5:2780-2788.
118. 1H-NMR spectroscopy of human cerebrospinal fluid: effects of sample manipulation and assignment of resonances. J. Pharm. Biomed. Anal. 1993, 11:651-664.
119. 1H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples. Biochim. Biophys. Acta 1998, 1379:367-380.
120. Trygg J., Wold S. O2-PLS, a two-block (X-Y) latent variable regression (LVR) method with an integral OSC filter. J. Chemometr. 2003, 17:53-64.
121. Trygg J., et al. Chemometrics in metabonomics. J. Proteome Res. 2007, 6:469-479.
122. Tsuda H., et al. Comparative sequential changes in serum and biliary levels of bile acid components after a single dose of d-galactosamine or partial hepatectomy in the rat. Liver 1990, 10:28-34.
123. 31P heteronuclear statistical total correlation spectroscopy of intact human gut biopsies. Anal. Chem. 2008, 80:1058-1066.
124. Want E.J., et al. Global metabolic profiling procedures for urine using UPLC-MS. Nat. Protoc. 2010, 5:1005-1018.
125. Want E.J., et al. Ultra performance liquid chromatography-mass spectrometry profiling of bile acid metabolites in biofluids: application to experimental toxicology studies. Anal. Chem. 2010, 82:5282-5289.
126. Waterman C.L., et al. An integrated functional genomic study of acute phenobarbital exposure in the rat. BMC Genomics 2010, 11:9.
127. Waters N.J., et al. High-resolution magic angle spinning (1)H NMR spectroscopy of intact liver and kidney: optimization of sample preparation procedures and biochemical stability of tissue during spectral acquisition. Anal. Biochem. 2000, 282:16-23.
128. Waters N.J., et al. NMR and pattern recognition studies on liver extracts and intact livers from rats treated with alpha-naphthylisothiocyanate. Biochem. Pharmacol. 2002, 64:67-77.
129. Wilson I.D. Multiple hyphenation of liquid chromatography with nuclear magnetic resonance spectroscopy, mass spectrometry and beyond. J. Chromatogr. A 2000, 892:315-327.
130. Wilson I.D., et al. High resolution "ultra performance" liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies. J. Proteome Res. 2005, 4:591-598.
131. Wilson I.D., Nicholson J.K. The role of gut microbiota in drug response. Curr. Pharm. Des. 2009, 15:1519-1523.
132. Wishart D.S. Computational approaches to metabolomics. Methods Mol. Biol. 2010, 593:283-313.
133. Zelena E., et al. Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum. Anal. Chem. 2009, 81:1357-1364.
134. Zhao J., et al. Hyper innate responses in neonates lead to increased morbidity and mortality after infection. Proc. Natl. Acad. Sci. U.S.A. 2008, 105:7528-7533.