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Volumn 24, Issue 2, 2007, Pages 248-257

Analytical tools and approaches for metabolite identification in early drug discovery

Author keywords

Identification; Metabolism

Indexed keywords

DRUG METABOLITE;

EID: 33846059783     PISSN: 07248741     EISSN: 1573904X     Source Type: Journal    
DOI: 10.1007/s11095-006-9162-7     Document Type: Review
Times cited : (55)

References (101)
  • 1
    • 18844373318 scopus 로고    scopus 로고
    • Role of metabolism in drug-induced idiosyncratic hepatotoxicity
    • J. L. Walgren, M. D. Mitchell, and D. C. Thompson. Role of metabolism in drug-induced idiosyncratic hepatotoxicity. Crit. Rev. Toxicol. 35:325-361 (2005).
    • (2005) Crit. Rev. Toxicol , vol.35 , pp. 325-361
    • Walgren, J.L.1    Mitchell, M.D.2    Thompson, D.C.3
  • 2
    • 75249089520 scopus 로고    scopus 로고
    • Special requirements for metabolite characterization
    • W. A. Korfmacher ed, CRC, Boca Raton, FL
    • K. Cox. Special requirements for metabolite characterization. In W. A. Korfmacher (ed)., Using Mass Spectrometry for Drug Metabolism Studies, CRC, Boca Raton, FL, 2005, pp. 229-252.
    • (2005) Using Mass Spectrometry for Drug Metabolism Studies , pp. 229-252
    • Cox, K.1
  • 3
    • 2442586742 scopus 로고    scopus 로고
    • Applications of quadrupole-time-of-flight mass spectrometry to facilitate metabolite identification
    • C. E. C. A. Hop. Applications of quadrupole-time-of-flight mass spectrometry to facilitate metabolite identification. Amer. Pharm. Rev. 7:76-79 (2004).
    • (2004) Amer. Pharm. Rev , vol.7 , pp. 76-79
    • Hop, C.E.C.A.1
  • 4
    • 85056512155 scopus 로고    scopus 로고
    • Q Trap MS: A new tool for metabolite identification
    • W. A. Korfmacher ed, CRC, Boca Raton, FL
    • G. Hopfgartner and M. Zell. Q Trap MS: a new tool for metabolite identification. In W. A. Korfmacher (ed)., Using Mass Spectrometry for Drug Metabolism Studies, CRC, Boca Raton, FL, 2005, pp. 277-304.
    • (2005) Using Mass Spectrometry for Drug Metabolism Studies , pp. 277-304
    • Hopfgartner, G.1    Zell, M.2
  • 5
    • 85056533764 scopus 로고    scopus 로고
    • High throughput strategies for in vitro ADME assays: How fast we go?
    • W. A. Korfmacher ed, CRC, Boca Raton, FL
    • D. B. Kassel. High throughput strategies for in vitro ADME assays: how fast we go?. In W. A. Korfmacher (ed)., Using Mass Spectrometry for Drug Metabolism Studies, CRC, Boca Raton, FL, 2005, pp. 83-102.
    • (2005) Using Mass Spectrometry for Drug Metabolism Studies , pp. 83-102
    • Kassel, D.B.1
  • 6
    • 33846043762 scopus 로고    scopus 로고
    • Hyphenated techniques in drug discovery: Purity assessment, purification, quantitative analysis and metabolite identification
    • J. M. Rosenfeld ed, CRC, Boca Raton, FL
    • J. Kingston, D. O'Connor, T. Sparey, and S. Thomas. Hyphenated techniques in drug discovery: purity assessment, purification, quantitative analysis and metabolite identification. In J. M. Rosenfeld (ed)., Sample Preparation for Hyphenated Analytical Techniques, CRC, Boca Raton, FL, 2004, pp. 114-149.
    • (2004) Sample Preparation for Hyphenated Analytical Techniques , pp. 114-149
    • Kingston, J.1    O'Connor, D.2    Sparey, T.3    Thomas, S.4
  • 7
    • 12344263826 scopus 로고    scopus 로고
    • Strategies for characterization of drug metabolites using liquid chromatography-tandem mass spectrometry in conjunction with chemical derivatization and on-line H/D exchange approaches
    • D. Q. Liu and C. E. C. A. Hop. Strategies for characterization of drug metabolites using liquid chromatography-tandem mass spectrometry in conjunction with chemical derivatization and on-line H/D exchange approaches. J. Pharm. Biomed. Anal. 37:1-18 (2005).
    • (2005) J. Pharm. Biomed. Anal , vol.37 , pp. 1-18
    • Liu, D.Q.1    Hop, C.E.C.A.2
  • 8
    • 1642368205 scopus 로고    scopus 로고
    • Strategies for dealing with metabolite elucidation in drug discovery and development
    • A. E. Nassar and R. E. Talaat. Strategies for dealing with metabolite elucidation in drug discovery and development. Drug Discov. Today 9:317-327 (2004).
    • (2004) Drug Discov. Today , vol.9 , pp. 317-327
    • Nassar, A.E.1    Talaat, R.E.2
  • 9
    • 9644278194 scopus 로고    scopus 로고
    • Improving the decision-making process in the structural modification of drug candidates: Enhancing metabolic stability
    • A. Nassar, A. Kamel, and C. Clarimont. Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic stability. Drug Discov. Today 9:1020-1028 (2004).
    • (2004) Drug Discov. Today , vol.9 , pp. 1020-1028
    • Nassar, A.1    Kamel, A.2    Clarimont, C.3
  • 10
    • 3242722209 scopus 로고    scopus 로고
    • Predicting drug metabolism: Concepts and challenges
    • B. Testa, A. L. Balmat, and A. Long. Predicting drug metabolism: concepts and challenges. Pure Appl. Chem. 76:907-914 (2004).
    • (2004) Pure Appl. Chem , vol.76 , pp. 907-914
    • Testa, B.1    Balmat, A.L.2    Long, A.3
  • 11
    • 23044488827 scopus 로고    scopus 로고
    • Predicting drug metabolism - an evaluation of the expert system METEOR
    • B. Testa, A. L. Balmat, A. Long, and P. Judson. Predicting drug metabolism - an evaluation of the expert system METEOR. Chem. Biodiv. 2:872-885 (2005).
    • (2005) Chem. Biodiv , vol.2 , pp. 872-885
    • Testa, B.1    Balmat, A.L.2    Long, A.3    Judson, P.4
  • 12
    • 19644377421 scopus 로고    scopus 로고
    • Prediction methods and databases within chemoinformatics: Emphasis on drugs and drug candidates
    • S. O. Jonsdottir, F. S. Jorgensen, and S. Brunak. Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates. Bioinformatics 21:2145-2160 (2005).
    • (2005) Bioinformatics , vol.21 , pp. 2145-2160
    • Jonsdottir, S.O.1    Jorgensen, F.S.2    Brunak, S.3
  • 13
    • 0842327199 scopus 로고    scopus 로고
    • Integration of knowledge-based metabolic predictions with liquid chromatography data-dependent tandem mass spectrometry for drug metabolism studies: Application to studies on the biotransformation of indinavir
    • M. R. Anari, R. I. Sanchez, R. Bakhtiar, R. B. Franklin, and T. A. Baillie. Integration of knowledge-based metabolic predictions with liquid chromatography data-dependent tandem mass spectrometry for drug metabolism studies: application to studies on the biotransformation of indinavir. Anal. Chem. 76:823-832 (2004).
    • (2004) Anal. Chem , vol.76 , pp. 823-832
    • Anari, M.R.1    Sanchez, R.I.2    Bakhtiar, R.3    Franklin, R.B.4    Baillie, T.A.5
  • 14
    • 19444367378 scopus 로고    scopus 로고
    • Bridging cheminformatic metabolite prediction and tandem mass spectrometry
    • M. R. Anari and T. A. Baillie. Bridging cheminformatic metabolite prediction and tandem mass spectrometry. Drug Discov. Today 10:711-717 (2005).
    • (2005) Drug Discov. Today , vol.10 , pp. 711-717
    • Anari, M.R.1    Baillie, T.A.2
  • 16
    • 25144438177 scopus 로고    scopus 로고
    • Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis
    • R. J. Mortishire-Smith, D. O'Connor, J. M. Castro-Perez, and J. Kirby. Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis. Rapid Commun. Mass Spectrom. 19:2659-2670 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 2659-2670
    • Mortishire-Smith, R.J.1    O'Connor, D.2    Castro-Perez, J.M.3    Kirby, J.4
  • 17
    • 4644333807 scopus 로고    scopus 로고
    • Identification of some new clemastine metabolites in dog, horse, and human urine with liquid chromatography/tandem mass spectrometry
    • A. Tevell, U. Bondesson, K. Toerneke, and M. Hedeland. Identification of some new clemastine metabolites in dog, horse, and human urine with liquid chromatography/tandem mass spectrometry. Rapid Commun. Mass Spectrom. 18:2267-2272 (2004).
    • (2004) Rapid Commun. Mass Spectrom , vol.18 , pp. 2267-2272
    • Tevell, A.1    Bondesson, U.2    Toerneke, K.3    Hedeland, M.4
  • 18
    • 27444434892 scopus 로고    scopus 로고
    • MetaSite: Understanding metabolism in human cytochromes from the perspective of the chemist
    • G. Cruciani, E. Carosati, B. De, Boeck, K. Ethirajulu, C. Mackie, T. Howe, and R. Vianello. MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist. J. Med. Chem. 48:6970-6979 (2005).
    • (2005) J. Med. Chem , vol.48 , pp. 6970-6979
    • Cruciani, G.1    Carosati, E.2    De, B.3    Boeck4    Ethirajulu, K.5    Mackie, C.6    Howe, T.7    Vianello, R.8
  • 19
    • 12844253069 scopus 로고    scopus 로고
    • Metabolizing enzyme toxicology assay chip (MetaChip) for high-throughput microscale toxicity analyses
    • M. Y. Lee, C. B. Park, J. S. Dordick, and D. S. Clark. Metabolizing enzyme toxicology assay chip (MetaChip) for high-throughput microscale toxicity analyses. Proc. Natl. Acad. Sci. U. S. A. 102:983-987 (2005).
    • (2005) Proc. Natl. Acad. Sci. U. S. A , vol.102 , pp. 983-987
    • Lee, M.Y.1    Park, C.B.2    Dordick, J.S.3    Clark, D.S.4
  • 21
    • 33846104724 scopus 로고    scopus 로고
    • Metabolic stability assessed by liver microsomes and hepatocytes
    • Z. Yan and G. W. Caldwell eds, Humana, Totowa, New Jersey
    • D. C. Ackley, K. T. RockichT. R. Baker. Metabolic stability assessed by liver microsomes and hepatocytes. In Z. Yan and G. W. Caldwell (eds.), Optimization Drug Discovery, Humana, Totowa, New Jersey, 2004, pp. 151-162.
    • (2004) Optimization Drug Discovery , pp. 151-162
    • Ackley, D.C.1    RockichT, K.T.2    Baker, R.3
  • 22
    • 17844373870 scopus 로고    scopus 로고
    • Simultaneous measurement of metabolic stability and metabolite identification of 7-methoxymethylthiazolo [3,2-a]pyrimidin-5-one derivatives in human liver microsomes using liquid chromatography/ion-trap mass spectrometry
    • E. Kantharaj, P. B. Ehmer, A. Tuytelaars, A. Van, Vlaslaer, C. Mackie, and R. A. H. J. Gilissen. Simultaneous measurement of metabolic stability and metabolite identification of 7-methoxymethylthiazolo [3,2-a]pyrimidin-5-one derivatives in human liver microsomes using liquid chromatography/ion-trap mass spectrometry. Rapid Commun. Mass Spectrom. 19:1069-1074 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 1069-1074
    • Kantharaj, E.1    Ehmer, P.B.2    Tuytelaars, A.3    Van, A.4    Vlaslaer5    Mackie, C.6    Gilissen, R.A.H.J.7
  • 23
    • 22744441263 scopus 로고    scopus 로고
    • Simultaneously quantifying parent drugs and screening for metabolites in plasma pharmacokinetic samples using selected reaction monitoring information-dependent acquisition on a QTrap instrument
    • A. C. Li, D. Alton, M. S. Bryant, and W. Z. Shou. Simultaneously quantifying parent drugs and screening for metabolites in plasma pharmacokinetic samples using selected reaction monitoring information-dependent acquisition on a QTrap instrument. Rapid Commun. Mass Spectrom. 19:1943-1950 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 1943-1950
    • Li, A.C.1    Alton, D.2    Bryant, M.S.3    Shou, W.Z.4
  • 24
    • 4143145642 scopus 로고    scopus 로고
    • In vitro metabolism of MK-0767 [(+-)-5-[(2,4-dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[(4-trifluoromethyl) phenyl]methyl]benzamide], a peroxisome proliferator-activated receptor a/g agonist. I. Role of cytochrome P450, methyltransferases, flavin monooxygenases, and esterases
    • B. V. Karanam, C. E. C. A. Hop, D. Q. Liu, M. Wallace, D. Dean, H. Satoh, M. Komuro, K. Awano, and S. H. Vincent. In vitro metabolism of MK-0767 [(+-)-5-[(2,4-dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[(4-trifluoromethyl) phenyl]methyl]benzamide], a peroxisome proliferator-activated receptor a/g agonist. I. Role of cytochrome P450, methyltransferases, flavin monooxygenases, and esterases. Drug Metab. Dispos. 32:1015-1022 (2004).
    • (2004) Drug Metab. Dispos , vol.32 , pp. 1015-1022
    • Karanam, B.V.1    Hop, C.E.C.A.2    Liu, D.Q.3    Wallace, M.4    Dean, D.5    Satoh, H.6    Komuro, M.7    Awano, K.8    Vincent, S.H.9
  • 25
    • 22344442353 scopus 로고    scopus 로고
    • Characterization of a novel metabolite intermediate of ziprasidone in hepatic cytosolic fractions of rat, dog, and human by ESI-MS/MS, hydrogen/deuterium exchange, and chemical derivatization
    • Z. Miao, A. Kamel, and C. Prakash. Characterization of a novel metabolite intermediate of ziprasidone in hepatic cytosolic fractions of rat, dog, and human by ESI-MS/MS, hydrogen/deuterium exchange, and chemical derivatization. Drug Metab. Dispos. 33:879-883 (2005).
    • (2005) Drug Metab. Dispos , vol.33 , pp. 879-883
    • Miao, Z.1    Kamel, A.2    Prakash, C.3
  • 26
    • 4644341747 scopus 로고    scopus 로고
    • Human hepatocytes in primary culture: The choice to investigate drug metabolism in man
    • M. J. Gomez-Lechon, M. T. Donato, J. V. Castell, and R. Jover. Human hepatocytes in primary culture: the choice to investigate drug metabolism in man. Curr. Drug Metab. 5:443-462 (2004).
    • (2004) Curr. Drug Metab , vol.5 , pp. 443-462
    • Gomez-Lechon, M.J.1    Donato, M.T.2    Castell, J.V.3    Jover, R.4
  • 27
    • 17644374794 scopus 로고    scopus 로고
    • In vitro metabolic fate of a novel structural class: Evidence for the formation of a reactive intermediate on a benzothiophene moiety
    • C. A. Evans, H. E. Fries, and K. W. Ward. In vitro metabolic fate of a novel structural class: evidence for the formation of a reactive intermediate on a benzothiophene moiety. Chem. Biol. Interact. 152:25-36 (2005).
    • (2005) Chem. Biol. Interact , vol.152 , pp. 25-36
    • Evans, C.A.1    Fries, H.E.2    Ward, K.W.3
  • 29
    • 20944437644 scopus 로고    scopus 로고
    • Microreactor microfluidic systems with human microsomes and hepatocytes for use in metabolite studies
    • J. C. Zguris, L. J. Itle, D. Hayes, and M. V. Pishko. Microreactor microfluidic systems with human microsomes and hepatocytes for use in metabolite studies. Biomed. Microdev. 7:117-125 (2005).
    • (2005) Biomed. Microdev , vol.7 , pp. 117-125
    • Zguris, J.C.1    Itle, L.J.2    Hayes, D.3    Pishko, M.V.4
  • 30
    • 28244478876 scopus 로고    scopus 로고
    • An in vitro approach to detect metabolite toxicity due to CYP3A4-dependent bioactivation of xenobiotics
    • L. Vignati, E. Turlizzi, S. Monaci, P. Grossi, R. Kanterde, and M. Monshouwer. An in vitro approach to detect metabolite toxicity due to CYP3A4-dependent bioactivation of xenobiotics. Toxicology 216:154-167 (2005).
    • (2005) Toxicology , vol.216 , pp. 154-167
    • Vignati, L.1    Turlizzi, E.2    Monaci, S.3    Grossi, P.4    Kanterde, R.5    Monshouwer, M.6
  • 31
    • 31444453937 scopus 로고    scopus 로고
    • Validation of in vitro cell models used in drug metabolism and transport studies; genotyping of cytochrome P450, Phase II enzymes and drug transporter polymorphisms in the human hepatoma (HepG2), ovarian carcinoma (IGROV-1) and colon carcinoma (CaCo-2, LS180) cell lines
    • E. F. A. Brandon, T. M. Bosch, M. J. Deenen, R. Levink, E. van der, Wal, J. B. M. van, Meerveld, M. Bijl, J. H. Beijnen, J. H. M. Schellens, and I. Meijerman. Validation of in vitro cell models used in drug metabolism and transport studies; genotyping of cytochrome P450, Phase II enzymes and drug transporter polymorphisms in the human hepatoma (HepG2), ovarian carcinoma (IGROV-1) and colon carcinoma (CaCo-2, LS180) cell lines. Toxicol. Appl. Pharmacol. 211:1-10 (2006).
    • (2006) Toxicol. Appl. Pharmacol , vol.211 , pp. 1-10
    • Brandon, E.F.A.1    Bosch, T.M.2    Deenen, M.J.3    Levink, R.4    van der, E.5    Wal6    van, J.B.M.7    Meerveld8    Bijl, M.9    Beijnen, J.H.10    Schellens, J.H.M.11    Meijerman, I.12
  • 32
    • 23244458476 scopus 로고    scopus 로고
    • In vitro studies in microsomes from rat and human liver, kidney, and intestine suggest that perfluorooctanoic acid is not a substrate for microsomal UDP-glucuronosyltransferases
    • R. A. Kemper and D. L. Nabb. In vitro studies in microsomes from rat and human liver, kidney, and intestine suggest that perfluorooctanoic acid is not a substrate for microsomal UDP-glucuronosyltransferases. Drug Chem. Toxicol. 28:281-287 (2005).
    • (2005) Drug Chem. Toxicol , vol.28 , pp. 281-287
    • Kemper, R.A.1    Nabb, D.L.2
  • 34
    • 20044375072 scopus 로고    scopus 로고
    • Ultra performance liquid chromatography coupled to orthogonal quadrupole TOF-MS(MS) for metabolite identification
    • I. Beattie, K. Joncour, and K. Lawson. Ultra performance liquid chromatography coupled to orthogonal quadrupole TOF-MS(MS) for metabolite identification. LC-GC Europe 24:19-21 (2005).
    • (2005) LC-GC Europe , vol.24 , pp. 19-21
    • Beattie, I.1    Joncour, K.2    Lawson, K.3
  • 35
    • 14844293921 scopus 로고    scopus 로고
    • Increasing throughput and information content for in vitro drug metabolism experiments using ultra-performance liquid chromatography coupled to a quadrupole time-of-flight mass spectrometer
    • J. Castro-Perez, R. Plumb, J. H. Granger, I. Beattie, K. Joncour, and A. Wright. Increasing throughput and information content for in vitro drug metabolism experiments using ultra-performance liquid chromatography coupled to a quadrupole time-of-flight mass spectrometer. Rapid Commun. Mass Spectrom. 19:843-848 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 843-848
    • Castro-Perez, J.1    Plumb, R.2    Granger, J.H.3    Beattie, I.4    Joncour, K.5    Wright, A.6
  • 36
    • 26444507780 scopus 로고    scopus 로고
    • Improving LC-MS sensitivity through increases in chromatographic performance: Comparisons of UPLC-ES/MS/MS to HPLC-ES/MS/MS
    • M. I. Churchwell, N. C. Twaddle, L. R. Meeker, and D. R. Doerge. Improving LC-MS sensitivity through increases in chromatographic performance: comparisons of UPLC-ES/MS/MS to HPLC-ES/MS/MS. J. Chromatog. B 825:134-143 (2005).
    • (2005) J. Chromatog. B , vol.825 , pp. 134-143
    • Churchwell, M.I.1    Twaddle, N.C.2    Meeker, L.R.3    Doerge, D.R.4
  • 37
    • 4344605615 scopus 로고    scopus 로고
    • A fatal overdose of cocaine associated with coingestion of marijuana, buprenorphine, and fluoxetine. Body fluid and tissue distribution of cocaine and its metabolites determined by hydrophilic interaction chromatography-mass spectrometry (HILIC-MS)
    • C. Giroud, K. Michaud, F. Sporkert, C. Eap, M. Augsburger, P. Cardinal, and P. Mangin. A fatal overdose of cocaine associated with coingestion of marijuana, buprenorphine, and fluoxetine. Body fluid and tissue distribution of cocaine and its metabolites determined by hydrophilic interaction chromatography-mass spectrometry (HILIC-MS). J. Anal. Toxicol. 28:464-474 (2004).
    • (2004) J. Anal. Toxicol , vol.28 , pp. 464-474
    • Giroud, C.1    Michaud, K.2    Sporkert, F.3    Eap, C.4    Augsburger, M.5    Cardinal, P.6    Mangin, P.7
  • 38
    • 4644258171 scopus 로고    scopus 로고
    • Identification of new oxycodone metabolites in human urine by capillary electrophoresis-multiple- stage ion-trap mass spectrometry
    • A. Baldacci, J. Caslavska, A. B. Wey, and W. Thormann. Identification of new oxycodone metabolites in human urine by capillary electrophoresis-multiple- stage ion-trap mass spectrometry. J. Chromatogr. A 1051:273-282 (2004).
    • (2004) J. Chromatogr. A , vol.1051 , pp. 273-282
    • Baldacci, A.1    Caslavska, J.2    Wey, A.B.3    Thormann, W.4
  • 39
    • 24044529175 scopus 로고    scopus 로고
    • Studies on the metabolism and toxicological detection of the new designer drug 4′-methyl-alpha-pyrrolidinobutyrophenone MPBP in rat urine using gas chromatography-mass spectrometry
    • F. Peters, M. Meyer, G. Fritschi, and H. Maurer. Studies on the metabolism and toxicological detection of the new designer drug 4′-methyl-alpha-pyrrolidinobutyrophenone MPBP in rat urine using gas chromatography-mass spectrometry. J. Chromatogr. B 824:81-91 (2005).
    • (2005) J. Chromatogr. B , vol.824 , pp. 81-91
    • Peters, F.1    Meyer, M.2    Fritschi, G.3    Maurer, H.4
  • 40
    • 24044494618 scopus 로고    scopus 로고
    • Studies on the metabolism and toxicological detection of the designer drug 4-methylthioamphetamine 4-MTA in human urine using gas chromatography-mass spectrometry
    • A. Ewald, F. Peters, M. Weise, and H. Maurer. Studies on the metabolism and toxicological detection of the designer drug 4-methylthioamphetamine 4-MTA in human urine using gas chromatography-mass spectrometry. J. Chromatogr. B 824:123-131 (2005).
    • (2005) J. Chromatogr. B , vol.824 , pp. 123-131
    • Ewald, A.1    Peters, F.2    Weise, M.3    Maurer, H.4
  • 42
    • 20644438228 scopus 로고    scopus 로고
    • Advantages of atmospheric pressure photoionization mass spectrometry in support of drug discovery
    • Y. Cai, D. Kingery, O. McConnell, and A. C. Bach II. Advantages of atmospheric pressure photoionization mass spectrometry in support of drug discovery. Rapid Commun. Mass Spectrom. 19:1717-1724 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 1717-1724
    • Cai, Y.1    Kingery, D.2    McConnell, O.3    Bach II, A.C.4
  • 43
    • 20444385508 scopus 로고    scopus 로고
    • Thermally induced N-to-O rearrangement of tert-N-Oxides in atmospheric pressure chemical ionization and atmospheric pressure photoionization mass spectrometry: Differentiation of N-Oxidation from hydroxylation and potential determination of N-Oxidation site
    • S. Ma, S. K. Chowdhury, and K. B. Alton. Thermally induced N-to-O rearrangement of tert-N-Oxides in atmospheric pressure chemical ionization and atmospheric pressure photoionization mass spectrometry: differentiation of N-Oxidation from hydroxylation and potential determination of N-Oxidation site. Anal. Chem. 77:3676-3682 (2005).
    • (2005) Anal. Chem , vol.77 , pp. 3676-3682
    • Ma, S.1    Chowdhury, S.K.2    Alton, K.B.3
  • 45
    • 32944482358 scopus 로고    scopus 로고
    • In vitro and in vivo studies on acyl-coenzyme Adependent bioactivation of zomepirac in rats
    • J. Olsen, C. Li, I. Bjornsdottir, U. Sidenius, S. H. Hansen, and L. Z. Benet. In vitro and in vivo studies on acyl-coenzyme Adependent bioactivation of zomepirac in rats. Chem. Res. Toxicol. 18:1729-1736 (2005).
    • (2005) Chem. Res. Toxicol , vol.18 , pp. 1729-1736
    • Olsen, J.1    Li, C.2    Bjornsdottir, I.3    Sidenius, U.4    Hansen, S.H.5    Benet, L.Z.6
  • 47
    • 4143061793 scopus 로고    scopus 로고
    • In vitro metabolism of MK-0767 [(+-)-5-[(2,4- dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[(4-trifluoromethyl)-phenyl] methyl]benzamide], a peroxisome proliferator-activated receptor a/g agonist. II. Identification of metabolites by liquid chromatography-tandem mass spectrometry
    • D. Q. Liu, B. V. Karanam, G. A. Doss, R. R. Sidler, S. H. Vincent, and C. E. C. A. Hop. In vitro metabolism of MK-0767 [(+-)-5-[(2,4- dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[(4-trifluoromethyl)-phenyl] methyl]benzamide], a peroxisome proliferator-activated receptor a/g agonist. II. Identification of metabolites by liquid chromatography-tandem mass spectrometry. Drug Metab. Dispos. 32:1023-1031 (2004).
    • (2004) Drug Metab. Dispos , vol.32 , pp. 1023-1031
    • Liu, D.Q.1    Karanam, B.V.2    Doss, G.A.3    Sidler, R.R.4    Vincent, S.H.5    Hop, C.E.C.A.6
  • 48
    • 21644470525 scopus 로고    scopus 로고
    • Application of ion Trap-MS with H/D exchange and QqTOF-MS in the identification of microbial degradates of trimethoprim in nitrifying activated sludge
    • P. Eichhorn, P. L. Ferguson, S. Perez, and D. S. Aga. Application of ion Trap-MS with H/D exchange and QqTOF-MS in the identification of microbial degradates of trimethoprim in nitrifying activated sludge. Anal. Chem. 77:4176-4184 (2005).
    • (2005) Anal. Chem , vol.77 , pp. 4176-4184
    • Eichhorn, P.1    Ferguson, P.L.2    Perez, S.3    Aga, D.S.4
  • 49
    • 1942516882 scopus 로고    scopus 로고
    • Metabolites of an orally active antimicrobial prodrug, 2,5-bis(4-amidinophenyl)-furan-bis-O-methylamidoxime, identified by liquid chromatography/tandem mass spectrometry
    • L. Zhou, D. R. Thakker, R. D. Voyksner, M. Anbazhagan, D. W. Boykin, J. E. Hall, and R. R. Tidwell. Metabolites of an orally active antimicrobial prodrug, 2,5-bis(4-amidinophenyl)-furan-bis-O-methylamidoxime, identified by liquid chromatography/tandem mass spectrometry. J. Mass Spectrom. 39:351-360 (2004).
    • (2004) J. Mass Spectrom , vol.39 , pp. 351-360
    • Zhou, L.1    Thakker, D.R.2    Voyksner, R.D.3    Anbazhagan, M.4    Boykin, D.W.5    Hall, J.E.6    Tidwell, R.R.7
  • 50
    • 4444272971 scopus 로고    scopus 로고
    • Triple quadrupole linear ion trap mass spectrometer for the analysis of small molecules and macromolecules
    • G. Hopfgartner, E. Varesio, V. Tschaeppaet, C. Grivet, E. Bourgogne, and L. A. Leuthold. Triple quadrupole linear ion trap mass spectrometer for the analysis of small molecules and macromolecules. J. Mass Spectrom. 39:845-855 (2004).
    • (2004) J. Mass Spectrom , vol.39 , pp. 845-855
    • Hopfgartner, G.1    Varesio, E.2    Tschaeppaet, V.3    Grivet, C.4    Bourgogne, E.5    Leuthold, L.A.6
  • 51
    • 22744442456 scopus 로고    scopus 로고
    • A strategy for identification of drug metabolites from dried blood spots using triple-quadrupole/linear ion trap hybrid mass spectrometry
    • T. Mauriala, N. Chauret, R. Oballa, D. A. Nicoll-Griffith, and K. P. Bateman. A strategy for identification of drug metabolites from dried blood spots using triple-quadrupole/linear ion trap hybrid mass spectrometry. Rapid Commun. Mass Spectrom. 19:1984-1992 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 1984-1992
    • Mauriala, T.1    Chauret, N.2    Oballa, R.3    Nicoll-Griffith, D.A.4    Bateman, K.P.5
  • 52
    • 10844258911 scopus 로고    scopus 로고
    • Application of a novel quadrupole linear ion trap mass spectrometer to study the metabolism of 6-aminobutylphthalide in rat brains
    • J. P. Qiao, Z. Abliz, F. M. Chu, P. L. Hou, F. Liang, Y. Chang, and Z. R. Guo. Application of a novel quadrupole linear ion trap mass spectrometer to study the metabolism of 6-aminobutylphthalide in rat brains. Rapid Commun. Mass Spectrom. 18:3142-3147 (2004).
    • (2004) Rapid Commun. Mass Spectrom , vol.18 , pp. 3142-3147
    • Qiao, J.P.1    Abliz, Z.2    Chu, F.M.3    Hou, P.L.4    Liang, F.5    Chang, Y.6    Guo, Z.R.7
  • 53
    • 25144468977 scopus 로고    scopus 로고
    • All-in-One' analysis for metabolite identification using liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry with collision energy switching
    • M. Wrona, T. Mauriala, K. P. Bateman, R. J. Mortishire-Smith, and D. O'Connor. 'All-in-One' analysis for metabolite identification using liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry with collision energy switching. Rapid Commun. Mass Spectrom. 19:2597-2602 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 2597-2602
    • Wrona, M.1    Mauriala, T.2    Bateman, K.P.3    Mortishire-Smith, R.J.4    O'Connor, D.5
  • 54
    • 20644454881 scopus 로고    scopus 로고
    • Use of a five-channel multiplexed electrospray quadrupole time-of-flight hybrid mass spectrometer for metabolite identification
    • L. Leclercq, C. Delatour, I. Hoes, F. Brunelle, X. Labrique, and J. Castro-Perez. Use of a five-channel multiplexed electrospray quadrupole time-of-flight hybrid mass spectrometer for metabolite identification. Rapid Commun. Mass Spectrom. 19:1611-1618 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 1611-1618
    • Leclercq, L.1    Delatour, C.2    Hoes, I.3    Brunelle, F.4    Labrique, X.5    Castro-Perez, J.6
  • 55
    • 4143116643 scopus 로고    scopus 로고
    • Liquid chromatography-accurate radioisotope counting and microplate scintillation counter technologies in drug metabolism studies
    • A.-E. F. Nassar, Y. Parmentier, M. Martinet, and D. Y. Lee. Liquid chromatography-accurate radioisotope counting and microplate scintillation counter technologies in drug metabolism studies. J. Chromatogr. Sci. 42:348-353 (2004).
    • (2004) J. Chromatogr. Sci , vol.42 , pp. 348-353
    • Nassar, A.-E.F.1    Parmentier, Y.2    Martinet, M.3    Lee, D.Y.4
  • 56
    • 26444533998 scopus 로고    scopus 로고
    • Narrow-bore sample trapping and chromatography combined with quadrupole/time-of-flight mass spectrometry for ultra-sensitive identification of in vivo and in vitro metabolites
    • D. J. Foltz, J. Castro-Perez, P. Riley, J. R. Entwisle, and T. R. Baker. Narrow-bore sample trapping and chromatography combined with quadrupole/time-of-flight mass spectrometry for ultra-sensitive identification of in vivo and in vitro metabolites. J. Chromatogr. B 825:144-151 (2005).
    • (2005) J. Chromatogr. B , vol.825 , pp. 144-151
    • Foltz, D.J.1    Castro-Perez, J.2    Riley, P.3    Entwisle, J.R.4    Baker, T.R.5
  • 57
    • 14744294855 scopus 로고    scopus 로고
    • The combination of liquid chromatography/tandem mass spectrometry and chip-based infusion for improved screening and characterization of drug metabolites
    • R. F. Staack, E. Varesio, and G. Hopfgartner. The combination of liquid chromatography/tandem mass spectrometry and chip-based infusion for improved screening and characterization of drug metabolites. Rapid Commun. Mass Spectrom. 19:618-626 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 618-626
    • Staack, R.F.1    Varesio, E.2    Hopfgartner, G.3
  • 58
    • 3042686286 scopus 로고    scopus 로고
    • Quantitative small molecule bioanalysis using chip-based nanoESI-MS/MS
    • L. Zhang, J. D. Laycock, and K. J. Miller. Quantitative small molecule bioanalysis using chip-based nanoESI-MS/MS. J. Assoc. Lab. Automat. 9:109-114 (2004).
    • (2004) J. Assoc. Lab. Automat , vol.9 , pp. 109-114
    • Zhang, L.1    Laycock, J.D.2    Miller, K.J.3
  • 59
    • 2442517316 scopus 로고    scopus 로고
    • Multivariate approaches for efficient detection of potential metabolites from liquid chromatography/mass spectrometry data
    • H. Idborg, P. Edlund, and S. Jacobsson. Multivariate approaches for efficient detection of potential metabolites from liquid chromatography/mass spectrometry data. Rapid Commun. Mass Spectrom. 18:944-954 (2004).
    • (2004) Rapid Commun. Mass Spectrom , vol.18 , pp. 944-954
    • Idborg, H.1    Edlund, P.2    Jacobsson, S.3
  • 60
    • 32444446805 scopus 로고    scopus 로고
    • XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
    • C. A. Smith, E. J. Want, G. O'Maille, R. Abagyan, and G. Siuzdak. XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal. Chem. 78:779-787 (2006).
    • (2006) Anal. Chem , vol.78 , pp. 779-787
    • Smith, C.A.1    Want, E.J.2    O'Maille, G.3    Abagyan, R.4    Siuzdak, G.5
  • 61
    • 0042090318 scopus 로고    scopus 로고
    • Metabolite characterization in drug discovery utilizing robotic liquid-handling, quadruple time-of-flight mass spectrometry and in-silico prediction
    • A.-E. F. Nassar and P. E. Adams. Metabolite characterization in drug discovery utilizing robotic liquid-handling, quadruple time-of-flight mass spectrometry and in-silico prediction. Curr. Drug Metab. 4:259-271 (2003).
    • (2003) Curr. Drug Metab , vol.4 , pp. 259-271
    • Nassar, A.-E.F.1    Adams, P.E.2
  • 62
    • 0035914538 scopus 로고    scopus 로고
    • Fast interpretation of complex LC/MS data using chemometrics
    • W. Windig, W. F. Smith, and W. F. Nichols. Fast interpretation of complex LC/MS data using chemometrics. Anal. Chim. Acta 446:467-476 (2001).
    • (2001) Anal. Chim. Acta , vol.446 , pp. 467-476
    • Windig, W.1    Smith, W.F.2    Nichols, W.F.3
  • 63
    • 33846075949 scopus 로고    scopus 로고
    • Rapid metabolite identification using accurate and MSn mass spectra in combination with smart processing tools
    • Europe, Chester, UK
    • G. Zurek, W. D. Herzog, A. Germanus, O. Raether, V. Krone, A. Ingendoh, and C. Baessmann. Rapid metabolite identification using accurate and MSn mass spectra in combination with smart processing tools. In The Applications Book, LC-GC Europe, Chester, UK, 2004, pp. 24-25.
    • (2004) The Applications Book, LC-GC , pp. 24-25
    • Zurek, G.1    Herzog, W.D.2    Germanus, A.3    Raether, O.4    Krone, V.5    Ingendoh, A.6    Baessmann, C.7
  • 64
    • 27944457524 scopus 로고    scopus 로고
    • Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry
    • Z. Yan, N. Maher, R. Torres, G. Caldwell, and N. Huebert. Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry. Rapid Commun. Mass Spectrom. 19:3322-3330 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 3322-3330
    • Yan, Z.1    Maher, N.2    Torres, R.3    Caldwell, G.4    Huebert, N.5
  • 65
    • 1242316997 scopus 로고    scopus 로고
    • In vitro metabolism of ethoxidine by human CYP1A1 and rat microsomes: Identification of metabolites by high-performance liquid chromatography combined with electrospray tandem mass spectrometry and accurate mass measurements by time-of-flight mass spectrometry
    • A. Deroussent, M. Re, H. Hoellinger, E. Vanquelef, O. Duval, M. Sonnier, and T. Cresteil. In vitro metabolism of ethoxidine by human CYP1A1 and rat microsomes: identification of metabolites by high-performance liquid chromatography combined with electrospray tandem mass spectrometry and accurate mass measurements by time-of-flight mass spectrometry. Rapid Commun. Mass Spectrom. 18:474-482 (2004).
    • (2004) Rapid Commun. Mass Spectrom , vol.18 , pp. 474-482
    • Deroussent, A.1    Re, M.2    Hoellinger, H.3    Vanquelef, E.4    Duval, O.5    Sonnier, M.6    Cresteil, T.7
  • 66
    • 25144490032 scopus 로고    scopus 로고
    • Structural characterization of sulfadiazine metabolites using H/D exchange combined with various MS/MS experiments
    • T. Pfeifer, J. Tuerk, and R. Fuchs. Structural characterization of sulfadiazine metabolites using H/D exchange combined with various MS/MS experiments. J. Am. Soc. Mass Spectrom. 16:1687-1694 (2005).
    • (2005) J. Am. Soc. Mass Spectrom , vol.16 , pp. 1687-1694
    • Pfeifer, T.1    Tuerk, J.2    Fuchs, R.3
  • 67
    • 1542617921 scopus 로고    scopus 로고
    • Prediction of MS/MS Data. 1. a focus on pharmaceuticals containing carboxylic acids
    • M. L. Bandu, K. R. Watkins, M. L. Bretthauer, C. A. Moore, and H. Desaire. Prediction of MS/MS Data. 1. a focus on pharmaceuticals containing carboxylic acids. Anal. Chem. 76:1746-1753 (2004).
    • (2004) Anal. Chem , vol.76 , pp. 1746-1753
    • Bandu, M.L.1    Watkins, K.R.2    Bretthauer, M.L.3    Moore, C.A.4    Desaire, H.5
  • 68
    • 27144445807 scopus 로고    scopus 로고
    • Identifying lactone hydrolysis in pharmaceuticals. A tool for metabolite structural characterization
    • L. Yi, M. L. Bandu, and H. Desaire. Identifying lactone hydrolysis in pharmaceuticals. A tool for metabolite structural characterization. Anal. Chem. 77:6655-6663 (2005).
    • (2005) Anal. Chem , vol.77 , pp. 6655-6663
    • Yi, L.1    Bandu, M.L.2    Desaire, H.3
  • 70
    • 1642431962 scopus 로고    scopus 로고
    • Direct on-line hyphenation of capillary liquid chromatography to nuclear magnetic resonance spectroscopy: Practical aspects and application to drug metabolite identification
    • M. Sandvoss, A. D. Roberts, I. M. Ismail, and S. E. North. Direct on-line hyphenation of capillary liquid chromatography to nuclear magnetic resonance spectroscopy: practical aspects and application to drug metabolite identification. J. Chromatogr. A 1028:259-266 (2004).
    • (2004) J. Chromatogr. A , vol.1028 , pp. 259-266
    • Sandvoss, M.1    Roberts, A.D.2    Ismail, I.M.3    North, S.E.4
  • 72
    • 8444252479 scopus 로고    scopus 로고
    • Characterization of a paracetamol metabolite using online LC-SPE-NMR-MS and a cryogenic NMR probe
    • M. Godejohann, L. H. Tseng, U. Braumann, J. Fuchser, and M. Spraul. Characterization of a paracetamol metabolite using online LC-SPE-NMR-MS and a cryogenic NMR probe. J. Chromatogr. A 1058:191-196 (2004).
    • (2004) J. Chromatogr. A , vol.1058 , pp. 191-196
    • Godejohann, M.1    Tseng, L.H.2    Braumann, U.3    Fuchser, J.4    Spraul, M.5
  • 75
    • 2442565699 scopus 로고    scopus 로고
    • Identification of 2,3-diaminophenazine and of o-benzoquinone dioxime as the major in vitro metabolites of benzofuroxan
    • G. Grosa, U. Galli, B. Rolando, R. Fruttero, G. Gervasio, and A. Gasco. Identification of 2,3-diaminophenazine and of o-benzoquinone dioxime as the major in vitro metabolites of benzofuroxan. Xenobiotica 34:345-352 (2004).
    • (2004) Xenobiotica , vol.34 , pp. 345-352
    • Grosa, G.1    Galli, U.2    Rolando, B.3    Fruttero, R.4    Gervasio, G.5    Gasco, A.6
  • 76
    • 23644433986 scopus 로고    scopus 로고
    • Fluorine-19 or phosphorus-31 NMR spectroscopy: A suitable analytical technique for quantitative in vitro metabolic studies of fluorinated or phosphorylated drugs
    • R. Martino, V. Gilard, F. Desmoulin, and M. Malet-Martino. Fluorine-19 or phosphorus-31 NMR spectroscopy: a suitable analytical technique for quantitative in vitro metabolic studies of fluorinated or phosphorylated drugs. J. Pharm. Biomed. Anal. 38:871-891 (2005).
    • (2005) J. Pharm. Biomed. Anal , vol.38 , pp. 871-891
    • Martino, R.1    Gilard, V.2    Desmoulin, F.3    Malet-Martino, M.4
  • 77
    • 1842728594 scopus 로고    scopus 로고
    • Use of 19F-nuclear magnetic resonance and gas chromatography- electron capture detection in the quantitative analysis of fluorine-containing metabolites in urine of sevoflurane-anaesthetized patients
    • H. Orhan, J. N. M. Commandeur, G. Sahin, U. Aypar, A. Sahin, and N. P. E. Vermeulen. Use of 19F-nuclear magnetic resonance and gas chromatography- electron capture detection in the quantitative analysis of fluorine-containing metabolites in urine of sevoflurane-anaesthetized patients. Xenobiotica 34:301-316 (2004).
    • (2004) Xenobiotica , vol.34 , pp. 301-316
    • Orhan, H.1    Commandeur, J.N.M.2    Sahin, G.3    Aypar, U.4    Sahin, A.5    Vermeulen, N.P.E.6
  • 78
    • 11244288218 scopus 로고    scopus 로고
    • Characterization and quantification of metabolites of racemic ketoprofen excreted in urine following oral administration to man by 1H-NMR spectroscopy, directly coupled HPLC-MS and HPLC-NMR, and circular dichroism
    • E. Skordi, I. D. Wilson, J. C. Lindon, and J. K. Nicholson. Characterization and quantification of metabolites of racemic ketoprofen excreted in urine following oral administration to man by 1H-NMR spectroscopy, directly coupled HPLC-MS and HPLC-NMR, and circular dichroism. Xenobiotica 34:1075-1089 (2004).
    • (2004) Xenobiotica , vol.34 , pp. 1075-1089
    • Skordi, E.1    Wilson, I.D.2    Lindon, J.C.3    Nicholson, J.K.4
  • 79
    • 27544478275 scopus 로고    scopus 로고
    • Uniformity of ionization response of structurally diverse analytes using a chip-based nanoelectrospray ionization source
    • C. E. C. A. Hop, Y. Chen, and L. J. Yu. Uniformity of ionization response of structurally diverse analytes using a chip-based nanoelectrospray ionization source. Rapid Commun. Mass Spectrom. 19:3139-3142 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 3139-3142
    • Hop, C.E.C.A.1    Chen, Y.2    Yu, L.J.3
  • 80
    • 18944401259 scopus 로고    scopus 로고
    • Elucidating mechanisms of drug-induced toxicity
    • D. C. Liebler and F. P. Guengerich. Elucidating mechanisms of drug-induced toxicity. Nature Rev. Drug Disc. 4:410-420 (2005).
    • (2005) Nature Rev. Drug Disc , vol.4 , pp. 410-420
    • Liebler, D.C.1    Guengerich, F.P.2
  • 81
    • 33344462585 scopus 로고    scopus 로고
    • Minimising the potential for metabolic activation in drug discovery
    • A. S. Kalgutkar and J. R. Soglia. Minimising the potential for metabolic activation in drug discovery. Exp. Opin. Drug. Metab. 1:91-142 (2005).
    • (2005) Exp. Opin. Drug. Metab , vol.1 , pp. 91-142
    • Kalgutkar, A.S.1    Soglia, J.R.2
  • 83
    • 18944393300 scopus 로고    scopus 로고
    • Bioactivation of 4-Ipomeanol by CYP4B1: Adduct characterization and evidence for an enedial intermediate
    • B. R. Baer, A. E. Rettie, and K. R. Henne. Bioactivation of 4-Ipomeanol by CYP4B1: adduct characterization and evidence for an enedial intermediate. Chem. Res. Toxicol. 18:855-864 (2005).
    • (2005) Chem. Res. Toxicol , vol.18 , pp. 855-864
    • Baer, B.R.1    Rettie, A.E.2    Henne, K.R.3
  • 84
    • 14844316005 scopus 로고    scopus 로고
    • A high-throughput liquid chromatography/tandem mass spectrometry method for screening glutathione conjugates using exact mass neutral loss acquisition
    • J. Castro-Perez, R. Plumb, L. Liang, and E. Yang. A high-throughput liquid chromatography/tandem mass spectrometry method for screening glutathione conjugates using exact mass neutral loss acquisition. Rapid Commun. Mass Spectrom. 19:798-804 (2005).
    • (2005) Rapid Commun. Mass Spectrom , vol.19 , pp. 798-804
    • Castro-Perez, J.1    Plumb, R.2    Liang, L.3    Yang, E.4
  • 85
    • 23944461321 scopus 로고    scopus 로고
    • Investigating the human metabolism of acetaminophen using UPLC and exact mass oa-TOF MS
    • K. Johnson and R. Plumb. Investigating the human metabolism of acetaminophen using UPLC and exact mass oa-TOF MS. J. Pharm. Biomed. Anal. 39:805-810 (2005).
    • (2005) J. Pharm. Biomed. Anal , vol.39 , pp. 805-810
    • Johnson, K.1    Plumb, R.2
  • 87
    • 4444361038 scopus 로고    scopus 로고
    • The development of a higher throughput reactive intermediate screening assay incorporating micro-bore liquid chromatography-micro- electrospray ionization-tandem mass spectrometry and glutathione ethyl ester as an in vitro conjugating agent
    • R. S. John, P. H. Shawn, Z. Sabrina, B. John, J. C. Mark, G. B. James, and G. C. Leonard. The development of a higher throughput reactive intermediate screening assay incorporating micro-bore liquid chromatography-micro- electrospray ionization-tandem mass spectrometry and glutathione ethyl ester as an in vitro conjugating agent. J. Pharm. Biomed. Anal. 36:105-116 (2004).
    • (2004) J. Pharm. Biomed. Anal , vol.36 , pp. 105-116
    • John, R.S.1    Shawn, P.H.2    Sabrina, Z.3    John, B.4    Mark, J.C.5    James, G.B.6    Leonard, G.C.7
  • 88
    • 10044279528 scopus 로고    scopus 로고
    • Stable-isotope trapping and high-throughput screenings of reactive metabolites using the isotope MS signature
    • Z. Yan and G. W. Caldwell. Stable-isotope trapping and high-throughput screenings of reactive metabolites using the isotope MS signature. Anal. Chem. 76:6835-6847 (2004).
    • (2004) Anal. Chem , vol.76 , pp. 6835-6847
    • Yan, Z.1    Caldwell, G.W.2
  • 89
  • 90
    • 18844399403 scopus 로고    scopus 로고
    • Detection of a novel reactive metabolite of diclofenac: Evidence for CYP2C9-mediated bioactivation via arene oxides
    • Z. Yan, J. Li, N. Huebert, G. W. Caldwell, Y. Du, and H. Zhong. Detection of a novel reactive metabolite of diclofenac: evidence for CYP2C9-mediated bioactivation via arene oxides. Drug Metab. Dispos. 33:706-713 (2005).
    • (2005) Drug Metab. Dispos , vol.33 , pp. 706-713
    • Yan, Z.1    Li, J.2    Huebert, N.3    Caldwell, G.W.4    Du, Y.5    Zhong, H.6
  • 91
    • 27144477300 scopus 로고    scopus 로고
    • Cyanide trapping of iminium ion reactive intermediates followed by detection and structure identification using liquid chromatography-tandem mass spectrometry (LC-MS/MS)
    • D. Argoti, L. Liang, A. Conteh, L. Chen, D. Bershas, C. P. Yu, P. Vouros, and E. Yang. Cyanide trapping of iminium ion reactive intermediates followed by detection and structure identification using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Chem. Res. Toxicol. 18:1537-1544 (2005).
    • (2005) Chem. Res. Toxicol , vol.18 , pp. 1537-1544
    • Argoti, D.1    Liang, L.2    Conteh, A.3    Chen, L.4    Bershas, D.5    Yu, C.P.6    Vouros, P.7    Yang, E.8
  • 92
    • 33846067441 scopus 로고    scopus 로고
    • In vitro screening assay of the reactivity of acyl glucuronides
    • Z. YanG. W. Caldwell eds, Humana, Totowa, New Jersey
    • S. Bolze. In vitro screening assay of the reactivity of acyl glucuronides. In Z. YanG. W. Caldwell (eds.), Optimization Drug Discovery, Humana, Totowa, New Jersey, 2004, pp. 385-404.
    • (2004) Optimization Drug Discovery , pp. 385-404
    • Bolze, S.1
  • 93
    • 23744450319 scopus 로고    scopus 로고
    • Role of benoxaprofen and flunoxaprofen acyl glucuronides in covalent binding to rat plasma and liver proteins in vivo
    • J. Q. Dong, J. Liu, and P. C. Smith. Role of benoxaprofen and flunoxaprofen acyl glucuronides in covalent binding to rat plasma and liver proteins in vivo. Biochem. Pharmacol. 70:937-948 (2005).
    • (2005) Biochem. Pharmacol , vol.70 , pp. 937-948
    • Dong, J.Q.1    Liu, J.2    Smith, P.C.3
  • 94
    • 14044263396 scopus 로고    scopus 로고
    • Application of quantitative structure-toxicity relationships for acute NSAID cytotoxicity in rat hepatocytes
    • A. G. Siraki, T. Chevaldina, and P. J. O'Brien. Application of quantitative structure-toxicity relationships for acute NSAID cytotoxicity in rat hepatocytes. Chem. Biol. Interact. 151:177-191 (2005).
    • (2005) Chem. Biol. Interact , vol.151 , pp. 177-191
    • Siraki, A.G.1    Chevaldina, T.2    O'Brien, P.J.3
  • 95
    • 10644294707 scopus 로고    scopus 로고
    • Nuclear magnetic resonance (NMR) and quantitative structure-activity relationship (QSAR) studies on the transacylation reactivity of model 1b-O-acyl glucuronides. II: QSAR modeling of the reaction using both computational and experimental NMR parameters
    • S. J. Vanderhoeven, J. Troke, G. E. Tranter, I. D. Wilson, J. K. Nicholson, and J. C. Lindon. Nuclear magnetic resonance (NMR) and quantitative structure-activity relationship (QSAR) studies on the transacylation reactivity of model 1b-O-acyl glucuronides. II: QSAR modeling of the reaction using both computational and experimental NMR parameters. Xenobiotica 34:889-900 (2004).
    • (2004) Xenobiotica , vol.34 , pp. 889-900
    • Vanderhoeven, S.J.1    Troke, J.2    Tranter, G.E.3    Wilson, I.D.4    Nicholson, J.K.5    Lindon, J.C.6
  • 96
    • 85056489345 scopus 로고    scopus 로고
    • Acyl glucuronides: Assays and issues
    • W. A. Korfmacher ed, CRC, Boca Raton, FL
    • S. Wainhaus. Acyl glucuronides: assays and issues. In W. A. Korfmacher (ed)., Using Mass Spectrometry for Drug Metabolism Studies, CRC, Boca Raton, FL, 2005, pp. 175-202.
    • (2005) Using Mass Spectrometry for Drug Metabolism Studies , pp. 175-202
    • Wainhaus, S.1
  • 97
    • 4644317079 scopus 로고    scopus 로고
    • A novel approach for predicting acyl glucuronide reactivity via Schiff Base Formation: Development of rapidly formed peptide adducts for LC/MS/MS measurements
    • J. Wang, M. Davis, F. Li, F. Azam, J. Scatina, and R. Talaat. A novel approach for predicting acyl glucuronide reactivity via Schiff Base Formation: development of rapidly formed peptide adducts for LC/MS/MS measurements. Chem. Res. Toxicol. 17:1206-1216 (2004).
    • (2004) Chem. Res. Toxicol , vol.17 , pp. 1206-1216
    • Wang, J.1    Davis, M.2    Li, F.3    Azam, F.4    Scatina, J.5    Talaat, R.6
  • 99
    • 18944396519 scopus 로고    scopus 로고
    • Dansyl glutathione as a trapping agent for the quantitative estimation and identification of reactive metabolites
    • J. Gan, T. W. Harper, M. M. Hsueh, Q. Qu, and W. G. Humphreys. Dansyl glutathione as a trapping agent for the quantitative estimation and identification of reactive metabolites. Chem. Res. Toxicol. 18:896-903 (2005).
    • (2005) Chem. Res. Toxicol , vol.18 , pp. 896-903
    • Gan, J.1    Harper, T.W.2    Hsueh, M.M.3    Qu, Q.4    Humphreys, W.G.5
  • 100
    • 33846095625 scopus 로고    scopus 로고
    • J. Gan. Fluorescently labeled thiol-containing trapping agent for the quantitation and identification of reactive metabolites in vitro, USA, 2005-31292[2005186651, 6-20050825. US. 1-7-2005. Ref Type: Patent
    • J. Gan. Fluorescently labeled thiol-containing trapping agent for the quantitation and identification of reactive metabolites in vitro. (USA). 2005-31292[2005186651], 6-20050825. US. 1-7-2005. Ref Type: Patent.
  • 101
    • 33846052507 scopus 로고    scopus 로고
    • Formation of NADP+ adducts as a amajor rat/human hepatic microsomal pathway for a novel class of IKKb inhibitors containing thienopyridine
    • S. Miao, J. Ma, and R. Cho. Formation of NADP+ adducts as a amajor rat/human hepatic microsomal pathway for a novel class of IKKb inhibitors containing thienopyridine. Drug Metab. Rev. 37:155 (2005).
    • (2005) Drug Metab. Rev , vol.37 , pp. 155
    • Miao, S.1    Ma, J.2    Cho, R.3


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