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Volumn 332, Issue , 2015, Pages 20-29

Analytical challenges for conducting rapid metabolism characterization for QIVIVE

Author keywords

Drug metabolism; Drug metabolites; High resolution mass spectrometry (HR MS); High throughput screening (HTS); Liquid chromatography mass spectrometry (LC MS)

Indexed keywords

ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; GAS CHROMATOGRAPHY; HUMAN; IN VITRO STUDY; LIPOPHILICITY; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLISM; METABOLITE; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE IN VITRO IN VIVO EXTRAPOLATION; RADIATION DETECTION; RADIOMETRY; TOXICOKINETICS; ULTRAVIOLET RADIATION; VALIDATION PROCESS; ANIMAL; ANIMAL TESTING ALTERNATIVE; BIOLOGICAL MODEL; BIOTRANSFORMATION; COMPUTER SIMULATION; HIGH THROUGHPUT SCREENING; PROCEDURES; REPRODUCIBILITY; RISK ASSESSMENT; RISK FACTOR; SPECIES DIFFERENCE; SYSTEMS BIOLOGY; TOXICITY TESTING; TOXICOLOGY;

EID: 84930082025     PISSN: 0300483X     EISSN: 18793185     Source Type: Journal    
DOI: 10.1016/j.tox.2013.08.010     Document Type: Article
Times cited : (23)

References (96)
  • 2
    • 62249183036 scopus 로고    scopus 로고
    • Predicting circulating human metabolites: how good are we?
    • Anderson S., Luffer-Atlas D., Knadler M.P. Predicting circulating human metabolites: how good are we?. Chem. Res. Toxicol. 2009, 22:243-256.
    • (2009) Chem. Res. Toxicol. , vol.22 , pp. 243-256
    • Anderson, S.1    Luffer-Atlas, D.2    Knadler, M.P.3
  • 5
    • 67650454711 scopus 로고    scopus 로고
    • Quantitative-qualitative data acquisition using a benchtop Orbitrap mass spectrometer
    • Bateman K.P., Kellmann M., Muenster H., Papp R., Taylor L. Quantitative-qualitative data acquisition using a benchtop Orbitrap mass spectrometer. J. Am. Soc. Mass Spectrom. 2009, 20:1441-1450.
    • (2009) J. Am. Soc. Mass Spectrom. , vol.20 , pp. 1441-1450
    • Bateman, K.P.1    Kellmann, M.2    Muenster, H.3    Papp, R.4    Taylor, L.5
  • 6
    • 62249155473 scopus 로고    scopus 로고
    • Can in vitro metabolism-dependent covalent binding data distinguish hepatotoxic from nonhepatotoxic drugs? An analysis using human hepatocytes and liver S-9 fraction
    • Bauman J.N., Kelly J.M., Tripahty S., Zhao S.X., Lam W.W., Kalgutkar A.S., Obach R.S. Can in vitro metabolism-dependent covalent binding data distinguish hepatotoxic from nonhepatotoxic drugs? An analysis using human hepatocytes and liver S-9 fraction. Chem. Res. Toxicol. 2009, 22:332-340.
    • (2009) Chem. Res. Toxicol. , vol.22 , pp. 332-340
    • Bauman, J.N.1    Kelly, J.M.2    Tripahty, S.3    Zhao, S.X.4    Lam, W.W.5    Kalgutkar, A.S.6    Obach, R.S.7
  • 7
    • 0033787424 scopus 로고    scopus 로고
    • Parallel ultra-high flow rate liquid chromatography with mass spectrometric detection using a multiplex electrospray source for direct, sensitive determination of pharmaceuticals in plasma at extremely high throughput
    • Bayliss M.K., Little D., Mallett D.N., Plumb R.S. Parallel ultra-high flow rate liquid chromatography with mass spectrometric detection using a multiplex electrospray source for direct, sensitive determination of pharmaceuticals in plasma at extremely high throughput. Rapid Commun. Mass Spectrom. 2000, 14:2039-2045.
    • (2000) Rapid Commun. Mass Spectrom. , vol.14 , pp. 2039-2045
    • Bayliss, M.K.1    Little, D.2    Mallett, D.N.3    Plumb, R.S.4
  • 8
    • 77954008507 scopus 로고    scopus 로고
    • Biokinetic modeling and in vitro-in vivo extrapolations
    • Blaauboer B.J. Biokinetic modeling and in vitro-in vivo extrapolations. J. Toxicol. Environ. Health 2010, 13:242-252.
    • (2010) J. Toxicol. Environ. Health , vol.13 , pp. 242-252
    • Blaauboer, B.J.1
  • 9
    • 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
    • Castro-Perez J., Plumb R., Granger J.H., Beattie I., Joncour K., Wright A. 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. 2005, 19:843-848.
    • (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
  • 11
    • 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
    • Churchwell M.I., Twaddle N.C., Meeker L.R., Doerge D.R. Improving LC-MS sensitivity through increases in chromatographic performance: comparisons of UPLC-ES/MS/MS to HPLC-ES/MS/MS. J. Chromatogr. B 2005, 825:134-143.
    • (2005) J. Chromatogr. B , vol.825 , pp. 134-143
    • Churchwell, M.I.1    Twaddle, N.C.2    Meeker, L.R.3    Doerge, D.R.4
  • 13
    • 14744283130 scopus 로고    scopus 로고
    • Automated nanospray using chip-based emitters for the quantitative analysis of pharmaceutical compounds
    • Corkery L.J., Pang H., Schneider B.B., Covey T.R., Siu K.W.M. Automated nanospray using chip-based emitters for the quantitative analysis of pharmaceutical compounds. J. Am. Soc. Mass Spectrom. 2005, 16:363-369.
    • (2005) J. Am. Soc. Mass Spectrom. , vol.16 , pp. 363-369
    • Corkery, L.J.1    Pang, H.2    Schneider, B.B.3    Covey, T.R.4    Siu, K.W.M.5
  • 15
    • 53949121143 scopus 로고    scopus 로고
    • Improved liquid chromatography-online radioactivity detection for metabolite profiling
    • Cuyckens F., Koppen V., Kembuegler R., Leclercq L. Improved liquid chromatography-online radioactivity detection for metabolite profiling. J. Chromatogr. A 2008, 1209:128-135.
    • (2008) J. Chromatogr. A , vol.1209 , pp. 128-135
    • Cuyckens, F.1    Koppen, V.2    Kembuegler, R.3    Leclercq, L.4
  • 18
    • 0142195729 scopus 로고    scopus 로고
    • Matrix effect in bioanalysis of illicit drugs with LC-MS/MS: influence of ionization type, sample preparation and biofluid
    • Dams R., Huestis M.A., Lambert W.E., Murphy C.E. Matrix effect in bioanalysis of illicit drugs with LC-MS/MS: influence of ionization type, sample preparation and biofluid. J. Am. Soc. Mass Spectrom. 2003, 14:1290-1294.
    • (2003) J. Am. Soc. Mass Spectrom. , vol.14 , pp. 1290-1294
    • Dams, R.1    Huestis, M.A.2    Lambert, W.E.3    Murphy, C.E.4
  • 19
    • 33846019976 scopus 로고    scopus 로고
    • TopCount coupled to ultra-performance liquid chromatography for the profiling of radiolabeled drug metabolites in complex biological samples
    • Dear G.J., Patel N., Kelly P.J., Webber L., Yung M. TopCount coupled to ultra-performance liquid chromatography for the profiling of radiolabeled drug metabolites in complex biological samples. J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. 2006, 844:96-103.
    • (2006) J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. , vol.844 , pp. 96-103
    • Dear, G.J.1    Patel, N.2    Kelly, P.J.3    Webber, L.4    Yung, M.5
  • 20
    • 44449134642 scopus 로고    scopus 로고
    • Utilizing a-100 degrees C microplate CCD imager, yttrium silicate coated 384-microplates, and ultra-performance liquid chromatography for improved profiling of radiolabeled drug metabolites in complex biological samples
    • Dear G.J., Patel N., Weightman A., Pirard H., Talvitie M. Utilizing a-100 degrees C microplate CCD imager, yttrium silicate coated 384-microplates, and ultra-performance liquid chromatography for improved profiling of radiolabeled drug metabolites in complex biological samples. J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. 2008, 868:49-57.
    • (2008) J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. , vol.868 , pp. 49-57
    • Dear, G.J.1    Patel, N.2    Weightman, A.3    Pirard, H.4    Talvitie, M.5
  • 21
    • 56549113149 scopus 로고    scopus 로고
    • Evaluation of preparative high performance liquid chromatography and cryoprobe-nuclear magnetic resonance spectroscopy for the early quantitative estimation of drug metabolites in human plasma
    • Dear G.J., Roberts A.D., Beaumont C., North D.E. Evaluation of preparative high performance liquid chromatography and cryoprobe-nuclear magnetic resonance spectroscopy for the early quantitative estimation of drug metabolites in human plasma. J. Chromatogr. B 2008, 876:182-190.
    • (2008) J. Chromatogr. B , vol.876 , pp. 182-190
    • Dear, G.J.1    Roberts, A.D.2    Beaumont, C.3    North, D.E.4
  • 22
    • 62249210251 scopus 로고    scopus 로고
    • Nuclear magnetic resonance spectroscopy as a quantitative tool to determine the concentrations of biologically produced metabolites: implications in metabolites in safety testing
    • Espina R., Yu L., Wang J., Tong Z., Vashisththa S., Talaat R., Scatina J., Mutlib A. Nuclear magnetic resonance spectroscopy as a quantitative tool to determine the concentrations of biologically produced metabolites: implications in metabolites in safety testing. Chem. Res. Toxicol. 2009, 22:299-310.
    • (2009) Chem. Res. Toxicol. , vol.22 , pp. 299-310
    • Espina, R.1    Yu, L.2    Wang, J.3    Tong, Z.4    Vashisththa, S.5    Talaat, R.6    Scatina, J.7    Mutlib, A.8
  • 23
    • 1642281756 scopus 로고    scopus 로고
    • Drug-protein adducts: an industry perspective on minimizing the potential for drug bioactivation in drug discovery and development
    • Evans D.C., Watt A.P., Nicoll-Griffith D.A., Baillie T.A. Drug-protein adducts: an industry perspective on minimizing the potential for drug bioactivation in drug discovery and development. Chem. Res. Toxicol. 2004, 17:3-16.
    • (2004) Chem. Res. Toxicol. , vol.17 , pp. 3-16
    • Evans, D.C.1    Watt, A.P.2    Nicoll-Griffith, D.A.3    Baillie, T.A.4
  • 24
  • 25
    • 77149125562 scopus 로고    scopus 로고
    • Metabolites in safety testing: "MIST" for the clinical pharmacologist
    • Frederic C.B., Obach R.S. Metabolites in safety testing: "MIST" for the clinical pharmacologist. Clin. Pharm. Ther. 2010, 87:345-350.
    • (2010) Clin. Pharm. Ther. , vol.87 , pp. 345-350
    • Frederic, C.B.1    Obach, R.S.2
  • 26
    • 78649628659 scopus 로고    scopus 로고
    • A simple LC/MS/MS method to determine relative plasma exposures of drug metabolites across species for metabolite safety assessments (MIST)
    • Gao H., Obach R.S. A simple LC/MS/MS method to determine relative plasma exposures of drug metabolites across species for metabolite safety assessments (MIST). Drug Metab. Dispos. 2010, 38:2147-2156.
    • (2010) Drug Metab. Dispos. , vol.38 , pp. 2147-2156
    • Gao, H.1    Obach, R.S.2
  • 27
    • 66149104042 scopus 로고    scopus 로고
    • In vitro screening of 50 highly prescribed drugs for thiol adduct formations comparison of potential for drug-induced toxicity and extent of adduct formation
    • Gan J., Ruan Q., He B., Zhu M., Shyu W.C., Humphreys W.G. In vitro screening of 50 highly prescribed drugs for thiol adduct formations comparison of potential for drug-induced toxicity and extent of adduct formation. Chem. Res. Toxicol. 2009, 22:690-698.
    • (2009) Chem. Res. Toxicol. , vol.22 , pp. 690-698
    • Gan, J.1    Ruan, Q.2    He, B.3    Zhu, M.4    Shyu, W.C.5    Humphreys, W.G.6
  • 28
    • 8444252479 scopus 로고    scopus 로고
    • Characterization of a paracetamol metabolite using on-line LC-SPE-NMR-MS and a cryogenic NMR probe
    • Godejohann M., Tseng L.-H., Braumann U., Fuchser J., Spraul M. Characterization of a paracetamol metabolite using on-line LC-SPE-NMR-MS and a cryogenic NMR probe. J. Chromatogr. A 2004, 1058:191-196.
    • (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
  • 29
    • 84856114338 scopus 로고    scopus 로고
    • Metabolites in safety testing: issues and approaches to the safety evaluation of human metabolites in a drug that is extensively metabolized
    • Griffini P., James A.D., Roberts A.D., Pellegatti M.N. Metabolites in safety testing: issues and approaches to the safety evaluation of human metabolites in a drug that is extensively metabolized. J. Drug Metab. Toxicol. 2010, 1:102. 10.4172/2157-7609.1000102.
    • (2010) J. Drug Metab. Toxicol. , vol.1 , pp. 102
    • Griffini, P.1    James, A.D.2    Roberts, A.D.3    Pellegatti, M.N.4
  • 30
  • 31
    • 84881615325 scopus 로고    scopus 로고
    • When is protein binding important?
    • May, [Epub ahead of print]
    • Heuberger J., Schmidt S., Derendorf H. When is protein binding important?. J. Pharm. Sci. 2013, 6. May, [Epub ahead of print]. 10.1002/jps.23559.
    • (2013) J. Pharm. Sci. , vol.6
    • Heuberger, J.1    Schmidt, S.2    Derendorf, H.3
  • 32
    • 27544443321 scopus 로고    scopus 로고
    • Automated assignment of high-resolution collisionally activated dissociation mass spectra using a systematic bond disconnection approach
    • Hill A.W., Morthishire-Smith R.J. Automated assignment of high-resolution collisionally activated dissociation mass spectra using a systematic bond disconnection approach. Rapid Commun. Mass Spectrom. 2005, 19:311-3118.
    • (2005) Rapid Commun. Mass Spectrom. , vol.19 , pp. 311-3118
    • Hill, A.W.1    Morthishire-Smith, R.J.2
  • 33
    • 27544478275 scopus 로고    scopus 로고
    • Uniformity of ionization response of structurally diverse analytes using a chip-based nanoelectrospray ionization source
    • Hop C.C.E.A., Chen Y., Yu L.J. Uniformity of ionization response of structurally diverse analytes using a chip-based nanoelectrospray ionization source. Rapid Commun. Mass Spectrom. 2005, 19:3139-3142.
    • (2005) Rapid Commun. Mass Spectrom. , vol.19 , pp. 3139-3142
    • Hop, C.C.E.A.1    Chen, Y.2    Yu, L.J.3
  • 34
    • 84930091982 scopus 로고    scopus 로고
    • Non-Clinical Safety Studies for the Conduct of Human Clinical Trials for Pharmaceuticals
    • ICH (International Conference on Harmonisation) Non-Clinical Safety Studies for the Conduct of Human Clinical Trials for Pharmaceuticals. ICH Guidance M3(R2) 2009, 〈http://www.emea.europa.eu/pdfs/human/ich/028695en.pdf〉.
    • (2009) ICH Guidance M3(R2)
  • 35
    • 84858385968 scopus 로고    scopus 로고
    • HRMS; current usage, future directions and the promise of integration with unified data streams suited to post-acquisition mining
    • Josephs J.L. HRMS; current usage, future directions and the promise of integration with unified data streams suited to post-acquisition mining. Bioanalysis 2012, 4:471-476.
    • (2012) Bioanalysis , vol.4 , pp. 471-476
    • Josephs, J.L.1
  • 36
    • 0042837869 scopus 로고    scopus 로고
    • Quantitation of Midazolam in human plasma by automated chip-based infusion nanoelectrospray tandem mass spectrometry
    • Kapron J.T., Pace E., Van Pelt C.K., Henion J.D. Quantitation of Midazolam in human plasma by automated chip-based infusion nanoelectrospray tandem mass spectrometry. Rapid Commun. Mass Spectrom. 2003, 17:2019-2026.
    • (2003) Rapid Commun. Mass Spectrom. , vol.17 , pp. 2019-2026
    • Kapron, J.T.1    Pace, E.2    Van Pelt, C.K.3    Henion, J.D.4
  • 38
    • 79958695977 scopus 로고    scopus 로고
    • High-resolution mass spectrometry will dramatically change our drug-discovery bioanalysis procedures
    • Korfmacher W. High-resolution mass spectrometry will dramatically change our drug-discovery bioanalysis procedures. Bioanalysis 2011, 3:1169-1171.
    • (2011) Bioanalysis , vol.3 , pp. 1169-1171
    • Korfmacher, W.1
  • 39
    • 0037649064 scopus 로고    scopus 로고
    • Liquid chromatography/atmospheric pressure ionization-mass spectrometry in drug metabolism studies
    • Kostiainen R., Kotiaho T., Kuuranne T., Auriola S. Liquid chromatography/atmospheric pressure ionization-mass spectrometry in drug metabolism studies. J. Mass Spectrom. 2003, 38:357-372.
    • (2003) J. Mass Spectrom. , vol.38 , pp. 357-372
    • Kostiainen, R.1    Kotiaho, T.2    Kuuranne, T.3    Auriola, S.4
  • 40
    • 58149112644 scopus 로고    scopus 로고
    • Effect of eluent on the ionization process in liquid chromatography-mass spectrometry
    • Kostiainen R., Kauppila T. Effect of eluent on the ionization process in liquid chromatography-mass spectrometry. J. Chromatogr. A 2009, 1216:685-699.
    • (2009) J. Chromatogr. A , vol.1216 , pp. 685-699
    • Kostiainen, R.1    Kauppila, T.2
  • 41
    • 78650520382 scopus 로고    scopus 로고
    • D-Isomer of gly-tyr-pro-cys-pro-his-pro peptide: a novel and sensitive in vitro trapping agent to detect reactive metabolites by electrospray mass spectrometry
    • Laine J.E., Auriola S., Pasanen M., Juvonen R.O. d-Isomer of gly-tyr-pro-cys-pro-his-pro peptide: a novel and sensitive in vitro trapping agent to detect reactive metabolites by electrospray mass spectrometry. Toxicol. In Vitro 2011, 25:411-425.
    • (2011) Toxicol. In Vitro , vol.25 , pp. 411-425
    • Laine, J.E.1    Auriola, S.2    Pasanen, M.3    Juvonen, R.O.4
  • 42
    • 20644454881 scopus 로고    scopus 로고
    • Use of a five-channel multiplexed electrospray quadrupole time-of-flight hybrid mass spectrometer for metabolite identification
    • Leclercq L., Delatour C., Hoes I., Brunelle F., Labrique X., Castro-Perez J. Use of a five-channel multiplexed electrospray quadrupole time-of-flight hybrid mass spectrometer for metabolite identification. Rapid Commun. Mass Spectrom. 2005, 19:1611-1618.
    • (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
  • 44
    • 62249142787 scopus 로고    scopus 로고
    • Which human metabolites have we MIST? Retrospective analysis, practical aspects, and perspectives for metabolite identification and quantification in pharmaceutical development
    • Leclercq L., Cuyckens F., Mannens G.S.J., de Vries R., Timmerman P., Evans D.C. Which human metabolites have we MIST? Retrospective analysis, practical aspects, and perspectives for metabolite identification and quantification in pharmaceutical development. Chem. Res. Toxicol. 2009, 22:280-293.
    • (2009) Chem. Res. Toxicol. , vol.22 , pp. 280-293
    • Leclercq, L.1    Cuyckens, F.2    Mannens, G.S.J.3    de Vries, R.4    Timmerman, P.5    Evans, D.C.6
  • 45
    • 0033128171 scopus 로고    scopus 로고
    • LC/MS applications in drug development
    • Lee M.S., Kerns E.H. LC/MS applications in drug development. Mass Spectrom. Rev. 1999, 18:187-279.
    • (1999) Mass Spectrom. Rev. , vol.18 , pp. 187-279
    • Lee, M.S.1    Kerns, E.H.2
  • 46
    • 34250707998 scopus 로고    scopus 로고
    • Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60000 in external calibration mode using an LTQ/Orbitrap
    • Lim H.K., Chen J., Sensenhauser C., Cook K., Subrahmanyam V. Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60000 in external calibration mode using an LTQ/Orbitrap. Rapid Commun. Mass Spectrom. 2007, 21:1821-1832.
    • (2007) Rapid Commun. Mass Spectrom. , vol.21 , pp. 1821-1832
    • Lim, H.K.1    Chen, J.2    Sensenhauser, C.3    Cook, K.4    Subrahmanyam, V.5
  • 47
    • 38649118495 scopus 로고    scopus 로고
    • Development and validation of a liquid chromatographic-tandem mass spectrometric method for determination of piperaquine in plasma: stable isotope labeled internal standard does not always compensate for matrix effects
    • Lindegardh N., Annerberg A., White N.J., Day N.P.J. Development and validation of a liquid chromatographic-tandem mass spectrometric method for determination of piperaquine in plasma: stable isotope labeled internal standard does not always compensate for matrix effects. J. Chromatogr. B 2008, 862:227-236.
    • (2008) J. Chromatogr. B , vol.862 , pp. 227-236
    • Lindegardh, N.1    Annerberg, A.2    White, N.J.3    Day, N.P.J.4
  • 48
    • 79960013720 scopus 로고    scopus 로고
    • Analytical strategies for assessment of human metabolites in preclinical safety testing
    • Ma S., Chowdhury S.K. Analytical strategies for assessment of human metabolites in preclinical safety testing. Anal. Chem. 2011, 83:5028-5036.
    • (2011) Anal. Chem. , vol.83 , pp. 5028-5036
    • Ma, S.1    Chowdhury, S.K.2
  • 49
    • 33749009806 scopus 로고    scopus 로고
    • Detecting and characterizing reactive metabolites by liquid chromatography/tandem mass spectrometry
    • Ma S., Subramanian R. Detecting and characterizing reactive metabolites by liquid chromatography/tandem mass spectrometry. J. Mass Spectrom. 2006, 41:1121-1139.
    • (2006) J. Mass Spectrom. , vol.41 , pp. 1121-1139
    • Ma, S.1    Subramanian, R.2
  • 50
    • 59649106977 scopus 로고    scopus 로고
    • Recent advances in applications of liquid chromatography-tandem mass spectrometry to the analysis of reactive drug metabolites
    • Ma S., Zhu M. Recent advances in applications of liquid chromatography-tandem mass spectrometry to the analysis of reactive drug metabolites. Chem. Biol. Interact. 2009, 179:25-37.
    • (2009) Chem. Biol. Interact. , vol.179 , pp. 25-37
    • Ma, S.1    Zhu, M.2
  • 51
    • 0346158187 scopus 로고    scopus 로고
    • A study of ion suppression effects in electrospray ionization from mobile phase additives and solid-phase extracts
    • Mallet C.R., Lu Z., Mazzeo J.R. A study of ion suppression effects in electrospray ionization from mobile phase additives and solid-phase extracts. Rapid Commun. Mass Spectrom. 2004, 18:49-58.
    • (2004) Rapid Commun. Mass Spectrom. , vol.18 , pp. 49-58
    • Mallet, C.R.1    Lu, Z.2    Mazzeo, J.R.3
  • 52
    • 34047275727 scopus 로고    scopus 로고
    • Prediction of in vivo potential for metabolic activation of drugs into chemically reactive intermediate: correlation of in vitro and in vivo generation of reactive intermediates and in vitro glutathione conjugate formation in rats and humans
    • Masubuchi N., Makino C., Murayama N. Prediction of in vivo potential for metabolic activation of drugs into chemically reactive intermediate: correlation of in vitro and in vivo generation of reactive intermediates and in vitro glutathione conjugate formation in rats and humans. Chem. Res. Toxicol. 2007, 20:455-464.
    • (2007) Chem. Res. Toxicol. , vol.20 , pp. 455-464
    • Masubuchi, N.1    Makino, C.2    Murayama, N.3
  • 53
    • 0037663202 scopus 로고    scopus 로고
    • Strategies for the assessment of matrix effect in quantitative bioanalytical methods based on HPLC-MS/MS
    • Matuszewski B.K., Constanzer M.L., Chavez-Eng C.L. Strategies for the assessment of matrix effect in quantitative bioanalytical methods based on HPLC-MS/MS. Anal. Chem. 2003, 75:3019-3030.
    • (2003) Anal. Chem. , vol.75 , pp. 3019-3030
    • Matuszewski, B.K.1    Constanzer, M.L.2    Chavez-Eng, C.L.3
  • 54
    • 77952951757 scopus 로고    scopus 로고
    • Perspectives of liquid chromatography coupled to low- and high-resolution mass spectrometry for screening, identification, and quantification of drugs in clinical and forensic toxicology
    • Maurer H. Perspectives of liquid chromatography coupled to low- and high-resolution mass spectrometry for screening, identification, and quantification of drugs in clinical and forensic toxicology. Ther. Drug Monit. 2010, 32:324-327.
    • (2010) Ther. Drug Monit. , vol.32 , pp. 324-327
    • Maurer, H.1
  • 56
    • 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
    • Mortishire-Smith R.J., O'Connor D., Castro-Perez J.M., Kirby J. 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. 2005, 19:2659-2670.
    • (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
  • 58
    • 0037442578 scopus 로고    scopus 로고
    • On-line liquid chromatography-accurate radioisotope counting coupled with a radioactivity detector and mass spectrometer for metabolite identification in drug discovery and development
    • Nassar A-E.F., Bjorge S.M. On-line liquid chromatography-accurate radioisotope counting coupled with a radioactivity detector and mass spectrometer for metabolite identification in drug discovery and development. Anal. Chem. 2003, 75:785-790.
    • (2003) Anal. Chem. , vol.75 , pp. 785-790
    • Nassar, A.-E.F.1    Bjorge, S.M.2
  • 59
    • 79951751893 scopus 로고    scopus 로고
    • Looking back through the MIST: a perspective of evolving strategies and key focus areas for metabolite safety analysis
    • Nedderman A.N.R., Wright P. Looking back through the MIST: a perspective of evolving strategies and key focus areas for metabolite safety analysis. Bioanalysis 2010, 2:1235-1248.
    • (2010) Bioanalysis , vol.2 , pp. 1235-1248
    • Nedderman, A.N.R.1    Wright, P.2
  • 60
    • 70449641110 scopus 로고    scopus 로고
    • A review of current trends and advances in modern bio-analytical methods: chromatography and sample preparation
    • Nováková L., Vlckobvá H. A review of current trends and advances in modern bio-analytical methods: chromatography and sample preparation. Anal. Chim. Acta 2009, 656:8-35.
    • (2009) Anal. Chim. Acta , vol.656 , pp. 8-35
    • Nováková, L.1    Vlckobvá, H.2
  • 61
    • 53549100467 scopus 로고    scopus 로고
    • Can in vitro metabolism-dependent covalent binding data in liver microsomes distinguish hepatotoxic from nonhepatotoxic drugs? An analysis of 18 drugs with consideration of intrinsic clearance and daily dose
    • Obach R.S., Kalgutkar A.S., Soglia J.R., Zhao S.X. Can in vitro metabolism-dependent covalent binding data in liver microsomes distinguish hepatotoxic from nonhepatotoxic drugs? An analysis of 18 drugs with consideration of intrinsic clearance and daily dose. Chem. Res. Toxicol. 2008, 21:1814-1822.
    • (2008) Chem. Res. Toxicol. , vol.21 , pp. 1814-1822
    • Obach, R.S.1    Kalgutkar, A.S.2    Soglia, J.R.3    Zhao, S.X.4
  • 64
    • 34447293729 scopus 로고    scopus 로고
    • New perspectives in bio-analytical techniques for preclinical characterization of a drug candidate: UPLC-MS/MS in in vitro metabolism and pharmacokinetic studies
    • Pedraglio S., Rozio M.G., Misiano P., Reali V., Dondio G., Bigogno C. New perspectives in bio-analytical techniques for preclinical characterization of a drug candidate: UPLC-MS/MS in in vitro metabolism and pharmacokinetic studies. J. Pharm. Biomed. Anal. 2007, 44:665-667.
    • (2007) J. Pharm. Biomed. Anal. , vol.44 , pp. 665-667
    • Pedraglio, S.1    Rozio, M.G.2    Misiano, P.3    Reali, V.4    Dondio, G.5    Bigogno, C.6
  • 66
    • 78650757034 scopus 로고    scopus 로고
    • From known knowns to known unknowns: predicting in vivo drug metabolites
    • Pelkonen O., Tolonen A., Korjamo T., Turpeinen M., Raunio H. From known knowns to known unknowns: predicting in vivo drug metabolites. Bioanalysis 2009, 1:393-414.
    • (2009) Bioanalysis , vol.1 , pp. 393-414
    • Pelkonen, O.1    Tolonen, A.2    Korjamo, T.3    Turpeinen, M.4    Raunio, H.5
  • 67
    • 73949153084 scopus 로고    scopus 로고
    • Comparison of metabolic stability and metabolite identification of 55 ECVAM/ICCVAM validation compounds between human and rat liver homogenates and microsomes-a preliminary analysis
    • Pelkonen O., Tolonen A., Rousu T., Tursas L., Turpeinen M., Hokkanen J., Uusitalo J., Bouvier d'Yvoir M., Coecke S. Comparison of metabolic stability and metabolite identification of 55 ECVAM/ICCVAM validation compounds between human and rat liver homogenates and microsomes-a preliminary analysis. ALTEX, Alternativen zu Tierexperimenten 2009, 26:214-222.
    • (2009) ALTEX, Alternativen zu Tierexperimenten , vol.26 , pp. 214-222
    • Pelkonen, O.1    Tolonen, A.2    Rousu, T.3    Tursas, L.4    Turpeinen, M.5    Hokkanen, J.6    Uusitalo, J.7    Bouvier d'Yvoir, M.8    Coecke, S.9
  • 68
    • 84877660868 scopus 로고    scopus 로고
    • Preservation, induction or incorporation of metabolism into the in vitro cellular system-views to current opportunities and limitations
    • Pelkonen O., Turpeinen M., Hakkola J., Abass K., Pasanen M., Raunio H., Vähäkangas K. Preservation, induction or incorporation of metabolism into the in vitro cellular system-views to current opportunities and limitations. Toxicol. In Vitro 2013, 27:1578-1583.
    • (2013) Toxicol. In Vitro , vol.27 , pp. 1578-1583
    • Pelkonen, O.1    Turpeinen, M.2    Hakkola, J.3    Abass, K.4    Pasanen, M.5    Raunio, H.6    Vähäkangas, K.7
  • 69
    • 79960175548 scopus 로고    scopus 로고
    • In vivo-in vitro-in silico pharmacokinetic modelling in drug development: current status and future directions
    • Pelkonen O., Turpeinen M., Raunio H. In vivo-in vitro-in silico pharmacokinetic modelling in drug development: current status and future directions. Clin. Pharmacokinet. 2011, 1:483-491.
    • (2011) Clin. Pharmacokinet. , vol.1 , pp. 483-491
    • Pelkonen, O.1    Turpeinen, M.2    Raunio, H.3
  • 72
    • 33847081694 scopus 로고    scopus 로고
    • What is the objective of mass balance study?: a retrospective analysis of data in animal and human excretion studies employing radiolabeled drugs
    • Roffey S.J., Obach R.S., Gedge J.I., Smith D.A. What is the objective of mass balance study?: a retrospective analysis of data in animal and human excretion studies employing radiolabeled drugs. Drug Metab. Rev. 2007, 39:17-43.
    • (2007) Drug Metab. Rev. , vol.39 , pp. 17-43
    • Roffey, S.J.1    Obach, R.S.2    Gedge, J.I.3    Smith, D.A.4
  • 73
    • 77949592420 scopus 로고    scopus 로고
    • Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight, and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro-amitriptyline and verapamil as model compounds
    • Rousu T., Herttuainen J., Tolonen A. Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight, and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro-amitriptyline and verapamil as model compounds. Rapid Commun. Mass Spectrom. 2010, 24:939-957.
    • (2010) Rapid Commun. Mass Spectrom. , vol.24 , pp. 939-957
    • Rousu, T.1    Herttuainen, J.2    Tolonen, A.3
  • 74
    • 84858082341 scopus 로고    scopus 로고
    • Applicability of generic assays based on liquid chromatography-electrospray mass spectrometry to study in vitro metabolism of 55 structurally diverse compounds
    • Rousu T., Hokkanen J., Pelkonen O., Tolonen A. Applicability of generic assays based on liquid chromatography-electrospray mass spectrometry to study in vitro metabolism of 55 structurally diverse compounds. Front. Pharmacol. 2010, 10.3389/fphar.2010.00010.
    • (2010) Front. Pharmacol.
    • Rousu, T.1    Hokkanen, J.2    Pelkonen, O.3    Tolonen, A.4
  • 75
    • 79955076864 scopus 로고    scopus 로고
    • Characterization of cyanide-trapped methylated metabonates formed during reactive metabolite screening in vitro
    • Rousu T., Tolonen A. Characterization of cyanide-trapped methylated metabonates formed during reactive metabolite screening in vitro. Rapid Commun. Mass Spectrom. 2011, 25:1382-1390.
    • (2011) Rapid Commun. Mass Spectrom. , vol.25 , pp. 1382-1390
    • Rousu, T.1    Tolonen, A.2
  • 76
    • 22744433154 scopus 로고    scopus 로고
    • Some fundamental and technical aspects of the quantitative analysis of pharmaceutical drugs by matrix-assisted laser desorption/ionization mass spectrometry
    • Sleno L., Volmer D.A. Some fundamental and technical aspects of the quantitative analysis of pharmaceutical drugs by matrix-assisted laser desorption/ionization mass spectrometry. Rapid Commun. Mass Spectrom. 2005, 19:1928-1936.
    • (2005) Rapid Commun. Mass Spectrom. , vol.19 , pp. 1928-1936
    • Sleno, L.1    Volmer, D.A.2
  • 77
    • 33845340506 scopus 로고    scopus 로고
    • Future of toxicology-mechanisms of toxicity and drug safety: where do we go from here?
    • Stevens J.L. Future of toxicology-mechanisms of toxicity and drug safety: where do we go from here?. Chem. Res. Toxicol. 2006, 19:1393-1401.
    • (2006) Chem. Res. Toxicol. , vol.19 , pp. 1393-1401
    • Stevens, J.L.1
  • 78
    • 41549139685 scopus 로고    scopus 로고
    • High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a 'first-line' approach for metabolite identification studies
    • Tiller P.R., Yu S., Castro-Perez J., Fillgrove K.L., Baillie T.A. High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a 'first-line' approach for metabolite identification studies. Rapid Commun. Mass Spectrom. 2008, 22:1053-1061.
    • (2008) Rapid Commun. Mass Spectrom. , vol.22 , pp. 1053-1061
    • Tiller, P.R.1    Yu, S.2    Castro-Perez, J.3    Fillgrove, K.L.4    Baillie, T.A.5
  • 79
    • 58849124556 scopus 로고    scopus 로고
    • Liquid chromatography-mass spectrometry in in vitro drug metabolite screening
    • Tolonen A., Turpeinen M., Pelkonen O. Liquid chromatography-mass spectrometry in in vitro drug metabolite screening. Drug Discovery Today 2009, 14:120-133.
    • (2009) Drug Discovery Today , vol.14 , pp. 120-133
    • Tolonen, A.1    Turpeinen, M.2    Pelkonen, O.3
  • 80
    • 71049174955 scopus 로고    scopus 로고
    • Evaluation of the potential for drug-induced liver injury based on in vitro covalent binding to human liver proteins
    • Usui T., Mise M., Hashizume T., Yabuki M., Komuro S. Evaluation of the potential for drug-induced liver injury based on in vitro covalent binding to human liver proteins. Drug Metab. Dispos. 2009, 37:2383-2392.
    • (2009) Drug Metab. Dispos. , vol.37 , pp. 2383-2392
    • Usui, T.1    Mise, M.2    Hashizume, T.3    Yabuki, M.4    Komuro, S.5
  • 81
    • 33645533680 scopus 로고    scopus 로고
    • Ultra-low flow nanospray for the normalization of conventional LC/MS through equimolar respose: standard free quantitative estimation of metabolite levels in drug discovery
    • Valaskovic G.A., Utley L., Lee M.S., Wu J.-T. Ultra-low flow nanospray for the normalization of conventional LC/MS through equimolar respose: standard free quantitative estimation of metabolite levels in drug discovery. Rapid Commun. Mass Spectrom. 2006, 20:1087-1096.
    • (2006) Rapid Commun. Mass Spectrom. , vol.20 , pp. 1087-1096
    • Valaskovic, G.A.1    Utley, L.2    Lee, M.S.3    Wu, J.-T.4
  • 82
    • 62249117708 scopus 로고    scopus 로고
    • Obtaining exposures of metabolites in preclinical species through plasma pooling and quantitative NMR: addressing metabolites in safety testing guidance without using radiolabeled compounds and chemically synthesized metabolite standards
    • Vishawanathan K., Babalola K., Wang J., Espina R., Yu L., Adedoyin A., Talaat R., Mutlib A., Scatina J. Obtaining exposures of metabolites in preclinical species through plasma pooling and quantitative NMR: addressing metabolites in safety testing guidance without using radiolabeled compounds and chemically synthesized metabolite standards. Chem. Res. Toxicol. 2009, 22:311-322.
    • (2009) Chem. Res. Toxicol. , vol.22 , pp. 311-322
    • Vishawanathan, K.1    Babalola, K.2    Wang, J.3    Espina, R.4    Yu, L.5    Adedoyin, A.6    Talaat, R.7    Mutlib, A.8    Scatina, J.9
  • 83
    • 36849040050 scopus 로고    scopus 로고
    • Comparison of MALDI to ESI on a triple quadrupole platform for pharmacokinetic analyses
    • Volmer D.A., Sleno L., Bateman K., Sturino C., Oballa R., Mauriala T., Corr J. Comparison of MALDI to ESI on a triple quadrupole platform for pharmacokinetic analyses. Anal. Chem. 2007, 79:9000-9006.
    • (2007) Anal. Chem. , vol.79 , pp. 9000-9006
    • Volmer, D.A.1    Sleno, L.2    Bateman, K.3    Sturino, C.4    Oballa, R.5    Mauriala, T.6    Corr, J.7
  • 84
    • 80052505619 scopus 로고    scopus 로고
    • Accurate mass instrumentation should not always be the first and only choice for MS in the drug metabolism environment
    • Weston D.J., Beattie I.G. Accurate mass instrumentation should not always be the first and only choice for MS in the drug metabolism environment. Bioanalysis 2011, 3:1795-1798.
    • (2011) Bioanalysis , vol.3 , pp. 1795-1798
    • Weston, D.J.1    Beattie, I.G.2
  • 85
    • 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
    • Wrona M., Mauriala T., Bateman K.P., Mortishire-Smith R.J., O'Connor D. 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. 2005, 19:2597.
    • (2005) Rapid Commun. Mass Spectrom. , vol.19 , pp. 2597
    • Wrona, M.1    Mauriala, T.2    Bateman, K.P.3    Mortishire-Smith, R.J.4    O'Connor, D.5
  • 86
    • 84862227329 scopus 로고    scopus 로고
    • In vitro ADME profiling using high-throughput rapidfire mass spectrometry: cytochrome p450 inhibition and metabolic stability assays
    • Wu X., Wang J., Tan L., Bui J., Gjerstad E., McMillan K., Zhang W. In vitro ADME profiling using high-throughput rapidfire mass spectrometry: cytochrome p450 inhibition and metabolic stability assays. J. Biomol. Screening 2012, 17:761-772.
    • (2012) J. Biomol. Screening , vol.17 , pp. 761-772
    • Wu, X.1    Wang, J.2    Tan, L.3    Bui, J.4    Gjerstad, E.5    McMillan, K.6    Zhang, W.7
  • 87
    • 70350249529 scopus 로고    scopus 로고
    • Metabolite quantitation: detector technology and MIST implications
    • Wright P., Miao Z., Shilliday B. Metabolite quantitation: detector technology and MIST implications. Bioanalysis 2009, 1:831-845.
    • (2009) Bioanalysis , vol.1 , pp. 831-845
    • Wright, P.1    Miao, Z.2    Shilliday, B.3
  • 88
    • 34249938957 scopus 로고    scopus 로고
    • Recent advances in high-throughput quantitative bioanalysis by LC/MS/MS
    • Xu R.N., Fan L., Rieser M.J., El-Shourbagy T.A. Recent advances in high-throughput quantitative bioanalysis by LC/MS/MS. J. Pharm. Biomed. Anal. 2007, 44:342-355.
    • (2007) J. Pharm. Biomed. Anal. , vol.44 , pp. 342-355
    • Xu, R.N.1    Fan, L.2    Rieser, M.J.3    El-Shourbagy, T.A.4
  • 89
    • 80054971350 scopus 로고    scopus 로고
    • Quantitative estimation of circulating metabolites without synthetic standards by ultra-high-performance liquid chromatography/high resolution accurate mass spectrometry in combination with UV-correction
    • Yang Y., Grubb M.F., Luk C.E., Humphreys W.G., Josephs J.L. Quantitative estimation of circulating metabolites without synthetic standards by ultra-high-performance liquid chromatography/high resolution accurate mass spectrometry in combination with UV-correction. Rapid Commun. Mass Spectrom. 2011, 25:3245-3251.
    • (2011) Rapid Commun. Mass Spectrom. , vol.25 , pp. 3245-3251
    • Yang, Y.1    Grubb, M.F.2    Luk, C.E.3    Humphreys, W.G.4    Josephs, J.L.5
  • 90
    • 33751264587 scopus 로고    scopus 로고
    • High-speed analyses using rapid resolution liquid chromatography on 1.8-μm porous particles
    • Yoshida T., Majors R.E. High-speed analyses using rapid resolution liquid chromatography on 1.8-μm porous particles. J. Sep. Sci. 2006, 29:2421-2432.
    • (2006) J. Sep. Sci. , vol.29 , pp. 2421-2432
    • Yoshida, T.1    Majors, R.E.2
  • 91
    • 79952471135 scopus 로고    scopus 로고
    • A radiocalibration method with pseudo internal standard to estimate circulating metabolite concentrations
    • Yi P., Luffer-Atlas D. A radiocalibration method with pseudo internal standard to estimate circulating metabolite concentrations. Bioanalysis 2010, 2:1195-1210.
    • (2010) Bioanalysis , vol.2 , pp. 1195-1210
    • Yi, P.1    Luffer-Atlas, D.2
  • 92
    • 32544446573 scopus 로고    scopus 로고
    • High-throughput quantification for a drug mixture in rat plasma-a comparison of Ultra PerformanceTM liquid chromatography/tandem mass spectrometry with high-performance liquid chromatography/tandem mass spectrometry
    • Yu K., Little D., Plumb R., Smith B. High-throughput quantification for a drug mixture in rat plasma-a comparison of Ultra PerformanceTM liquid chromatography/tandem mass spectrometry with high-performance liquid chromatography/tandem mass spectrometry. Rapid Commun. Mass Spectrom. 2006, 20:544-552.
    • (2006) Rapid Commun. Mass Spectrom. , vol.20 , pp. 544-552
    • Yu, K.1    Little, D.2    Plumb, R.3    Smith, B.4
  • 93
    • 33847166320 scopus 로고    scopus 로고
    • A rapid method for quantitatively estimating metabolites in human plasma in absence of synthetic standards using a combination of liquid chromatography-mass spectrometry and radiometric detection
    • Yu C., Chen C.L., Gorycki F.L., Neiss T.G. A rapid method for quantitatively estimating metabolites in human plasma in absence of synthetic standards using a combination of liquid chromatography-mass spectrometry and radiometric detection. Rapid Commun. Mass Spectrom. 2007, 21:497-502.
    • (2007) Rapid Commun. Mass Spectrom. , vol.21 , pp. 497-502
    • Yu, C.1    Chen, C.L.2    Gorycki, F.L.3    Neiss, T.G.4
  • 94
    • 67650494794 scopus 로고    scopus 로고
    • Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry
    • Zhang H., Zhang D., Ray K., Zhu M. Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry. J. Mass Spectrom. 2009, 44:999-1016.
    • (2009) J. Mass Spectrom. , vol.44 , pp. 999-1016
    • Zhang, H.1    Zhang, D.2    Ray, K.3    Zhu, M.4
  • 95
    • 79960431407 scopus 로고    scopus 로고
    • Drug metabolite profiling and identification by high-resolution mass spectrometry
    • Zhu M., Zhang H., Humphreys W.G. Drug metabolite profiling and identification by high-resolution mass spectrometry. J. Biol. Chem. 2011, 286:25419-25425.
    • (2011) J. Biol. Chem. , vol.286 , pp. 25419-25425
    • Zhu, M.1    Zhang, H.2    Humphreys, W.G.3
  • 96
    • 66149168573 scopus 로고    scopus 로고
    • A retention time shift-tolerant background subtraction and noise reduction algorithm (BgS-NoRA) for extraction of drug metabolites in liquid chromatography/mass spectrometry data from biological matrices
    • Zhu P., Ding W., Tong W., Ghosal A., Alton K., Chowdhury S. A retention time shift-tolerant background subtraction and noise reduction algorithm (BgS-NoRA) for extraction of drug metabolites in liquid chromatography/mass spectrometry data from biological matrices. Rapid Commun. Mass Spectrom. 2009, 23:1563-1572.
    • (2009) Rapid Commun. Mass Spectrom. , vol.23 , pp. 1563-1572
    • Zhu, P.1    Ding, W.2    Tong, W.3    Ghosal, A.4    Alton, K.5    Chowdhury, S.6


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