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Volumn 52, Issue 2, 2009, Pages 329-335

Metabolic soft spot identification and compound optimization in early discovery phases using MetaSite and LC-MS/MS validation

Author keywords

[No Author keywords available]

Indexed keywords

ACENOCOUMAROL; BEPRIDIL; CARVEDILOL; CHLORPROMAZINE; CIBENZOLINE; CITALOPRAM; CYTOCHROME P450; DRUG METABOLITE; KAEMPFEROL; KETAMINE; MAPROTILINE; MEQUITAZINE; MIDAZOLAM; PEFLOXACIN; PROPRANOLOL; TADALAFIL; TOREMIFENE; TRICHOSTATIN A; TROPISETRON; VENLAFAXINE;

EID: 60549095002     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm8008663     Document Type: Article
Times cited : (97)

References (22)
  • 1
    • 6944221357 scopus 로고    scopus 로고
    • Drug-drug interactions for UDP-glucuronosyltransferase substrates: A pharmacokinetic explanation for typically observed low exposure (AUC(i)/ AUC) ratios
    • Williams, J. A.; Hyland, R.; Jones, B. C.; Smith, D. A.; Hurst, S.; Goosen, T. C.; Peterkin, V.; Koup, J. R.; Ball, S. E. Drug-drug interactions for UDP-glucuronosyltransferase substrates: a pharmacokinetic explanation for typically observed low exposure (AUC(i)/ AUC) ratios. Drug Metab. Dispos. 2004, 32, 1201-1208.
    • (2004) Drug Metab. Dispos , vol.32 , pp. 1201-1208
    • Williams, J.A.1    Hyland, R.2    Jones, B.C.3    Smith, D.A.4    Hurst, S.5    Goosen, T.C.6    Peterkin, V.7    Koup, J.R.8    Ball, S.E.9
  • 2
    • 0030935086 scopus 로고    scopus 로고
    • Use of in vitro and in vivo data to estimate the likelihood of metabolic pharmacokinetic interactions
    • Bertz, R. J.; Granneman, G. R. Use of in vitro and in vivo data to estimate the likelihood of metabolic pharmacokinetic interactions. Clin. Pharmacokinet. 1997, 32, 210-258.
    • (1997) Clin. Pharmacokinet , vol.32 , pp. 210-258
    • Bertz, R.J.1    Granneman, G.R.2
  • 3
    • 0030886937 scopus 로고    scopus 로고
    • Managing the drug discovery/development interface
    • Kennedy, T. Managing the drug discovery/development interface. Drug Discovery Today 1997, 2, 436-444.
    • (1997) Drug Discovery Today , vol.2 , pp. 436-444
    • Kennedy, T.1
  • 4
    • 0034885012 scopus 로고    scopus 로고
    • Role of drug metabolism in drug discovery and development
    • Kumar, G. N.; Surapaneni, S. Role of drug metabolism in drug discovery and development. Med. Res. Rev. 2001, 21, 397-411.
    • (2001) Med. Res. Rev , vol.21 , pp. 397-411
    • Kumar, G.N.1    Surapaneni, S.2
  • 5
    • 33845543658 scopus 로고    scopus 로고
    • Cytochromes P450: Decision-making tools for personalized therapeutics
    • Murray, M.; Petrovic, N. Cytochromes P450: Decision-making tools for personalized therapeutics. Curr. Opin. Mol. Ther. 2006, 8, 480-486.
    • (2006) Curr. Opin. Mol. Ther , vol.8 , pp. 480-486
    • Murray, M.1    Petrovic, N.2
  • 6
    • 41649112599 scopus 로고    scopus 로고
    • Recent advances in high throughput screening for ADME properties
    • Carlson, T. J.; Fisher, M. B. Recent advances in high throughput screening for ADME properties. Comb. Chem. High Throughput Screening 2008, 11, 258-264.
    • (2008) Comb. Chem. High Throughput Screening , vol.11 , pp. 258-264
    • Carlson, T.J.1    Fisher, M.B.2
  • 7
    • 0036223831 scopus 로고    scopus 로고
    • Summary of information on human CYP enzymes: Human P450 metabolism data
    • Rendic, S. Summary of information on human CYP enzymes: Human P450 metabolism data. Drug Metab. Rev. 2002, 34, 83-448.
    • (2002) Drug Metab. Rev , vol.34 , pp. 83-448
    • Rendic, S.1
  • 8
    • 0034652244 scopus 로고    scopus 로고
    • Quantification and rapid metabolite identification in drug discovery using API time- of-flight LC/MS
    • Zhang, N. Y.; Fountain, S. T.; Bi, H. G.; Rossi, D. T. Quantification and rapid metabolite identification in drug discovery using API time- of-flight LC/MS. Anal. Chem. 2000, 72, 800-806.
    • (2000) Anal. Chem , vol.72 , pp. 800-806
    • Zhang, N.Y.1    Fountain, S.T.2    Bi, H.G.3    Rossi, D.T.4
  • 9
    • 0032733974 scopus 로고    scopus 로고
    • Prediction of human clearance of 29 drugs from hepatic microsomal intrinsic clearance data: An examination of in vitro half- life approach and nonspecific binding to microsomes
    • Obach, R. S. Prediction of human clearance of 29 drugs from hepatic microsomal intrinsic clearance data: An examination of in vitro half- life approach and nonspecific binding to microsomes. Drug Metab. Dispos. 1999, 27, 1350-1359.
    • (1999) Drug Metab. Dispos , vol.27 , pp. 1350-1359
    • Obach, R.S.1
  • 10
    • 33847212842 scopus 로고    scopus 로고
    • Current and future trends in the application of HPLC-MS to metabolite-identification studies
    • Castro-Perez, J. M. Current and future trends in the application of HPLC-MS to metabolite-identification studies. Drug Discovery Today 2007, 12, 249-256.
    • (2007) Drug Discovery Today , vol.12 , pp. 249-256
    • Castro-Perez, J.M.1
  • 11
    • 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
    • Li, A. C.; Alton, D.; Bryant, M. S.; Shou, W. Z. 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. 2005, 19, 1943-1950.
    • (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
  • 12
    • 27644585407 scopus 로고    scopus 로고
    • A novel approach to perform metabolite screening during the quantitative LC-MS/MS analyses of in vitro metabolic stability samples using a hybrid triple- quadrupole linear ion trap mass spectrometer
    • Shou, W. Z.; Magis, L.; Li, A. C.; Bryant, M. S. A novel approach to perform metabolite screening during the quantitative LC-MS/MS analyses of in vitro metabolic stability samples using a hybrid triple- quadrupole linear ion trap mass spectrometer. J. Mass Spectrom. 2005, 40, 1347-1356.
    • (2005) J. Mass Spectrom , vol.40 , pp. 1347-1356
    • Shou, W.Z.1    Magis, L.2    Li, A.C.3    Bryant, M.S.4
  • 13
    • 0035983382 scopus 로고    scopus 로고
    • Liquid chromatography/tandem mass spectrometric quantification with metabolite screening as a strategy to enhance the early drug discovery process
    • Tiller, P. R.; Romanyshyn, L. A. Liquid chromatography/tandem mass spectrometric quantification with metabolite screening as a strategy to enhance the early drug discovery process. Rapid Commun. Mass Spectrom. 2002, 16, 1225-1231.
    • (2002) Rapid Commun. Mass Spectrom , vol.16 , pp. 1225-1231
    • Tiller, P.R.1    Romanyshyn, L.A.2
  • 14
    • 33747868711 scopus 로고    scopus 로고
    • Structure-based methods for the prediction of drug metabolism
    • Madden, J. C.; Cronin, M. T. D. Structure-based methods for the prediction of drug metabolism. Expert Op. Drug Metab. Toxicol. 2006, 2, 545-557.
    • (2006) Expert Op. Drug Metab. Toxicol , vol.2 , pp. 545-557
    • Madden, J.C.1    Cronin, M.T.D.2
  • 15
    • 19444367378 scopus 로고    scopus 로고
    • Bridging cheminformatic metabolite prediction and tandem mass spectrometry
    • Anari, M. R.; Baillie, T. A. Bridging cheminformatic metabolite prediction and tandem mass spectrometry. Drug Discovery Today 2005, 10, 711-717.
    • (2005) Drug Discovery Today , vol.10 , pp. 711-717
    • Anari, M.R.1    Baillie, T.A.2
  • 16
    • 27444434892 scopus 로고    scopus 로고
    • Cruciani, G.; Carosati, E.; De Boeck, B.; Ethirajulu, K.; Mackie, C.; Howe, T.; Vianello, R. MetaSite: Understanding metabolism in human cytochromes from the perspective of the chemist. J. Med. Chem. 2005, 48, 6970-6979.
    • Cruciani, G.; Carosati, E.; De Boeck, B.; Ethirajulu, K.; Mackie, C.; Howe, T.; Vianello, R. MetaSite: Understanding metabolism in human cytochromes from the perspective of the chemist. J. Med. Chem. 2005, 48, 6970-6979.
  • 17
    • 33646764551 scopus 로고    scopus 로고
    • Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions
    • Zhou, D. S.; Afzelius, L.; Grimm, S. W.; Andersson, T. B.; Zauhar, R. J.; Zamora, I. Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions. Drug Metab. Dispos. 2006, 34, 976-983.
    • (2006) Drug Metab. Dispos , vol.34 , pp. 976-983
    • Zhou, D.S.1    Afzelius, L.2    Grimm, S.W.3    Andersson, T.B.4    Zauhar, R.J.5    Zamora, I.6
  • 18
    • 33847099636 scopus 로고    scopus 로고
    • Predicting the oxidative metabolism of statins: An application of the MetaSite (R) algorithm
    • Caron, G.; Ermondi, G.; Testa, B. Predicting the oxidative metabolism of statins: An application of the MetaSite (R) algorithm. Pharm. Res. 2007, 24, 480-501.
    • (2007) Pharm. Res , vol.24 , pp. 480-501
    • Caron, G.1    Ermondi, G.2    Testa, B.3
  • 19
    • 41649112599 scopus 로고    scopus 로고
    • Recent advances in high throughput screening for ADME properties
    • Carlson, T. J.; Fisher, M. B. Recent advances in high throughput screening for ADME properties. Comb. Chem. High Throughput Screening 2008, 11, 258-264.
    • (2008) Comb. Chem. High Throughput Screening , vol.11 , pp. 258-264
    • Carlson, T.J.1    Fisher, M.B.2
  • 22
    • 0031958268 scopus 로고    scopus 로고
    • In vitro biotransformation of flavonoids by rat liver microsomes
    • JM8008663
    • Nielsen, S. E.; Breinholt, V.; Justesen, U.; Cornett, C.; Dragsted, L. O. In vitro biotransformation of flavonoids by rat liver microsomes. Xenobiotica 1998, 28, 389-401. JM8008663
    • (1998) Xenobiotica , vol.28 , pp. 389-401
    • Nielsen, S.E.1    Breinholt, V.2    Justesen, U.3    Cornett, C.4    Dragsted, L.O.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.