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Review

In vitro screening of drug metabolism during drug development: can we trust the predictions?

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Pages 49-59 | Published online: 14 Jun 2005

Bibliography

  • LIN JH, LU AYH: Role of pharmacokinetics and metabolism in drug discovery and development. Pharmacol. Rev. (1997) 49:403–449.
  • VAN DE WATERBEEMD H, GIFFORD E: ADMET in silico modelling: towards prediction paradise? Nature Rev. Drug Dev. (2003) 2:192–203.
  • BAILLIE TA, CAYEN MN, FOUDA H et al.: Contemporary issues in toxicology. Drug metabolites in safety testing. Toxicol. Appl. Pharmacol. (2002) 182:188–196.
  • UETRECHT J: Screening for the potential of a drug candidate to cause idiosyncratic drug reactions. DDT (2003) 8:832–837.
  • GUENGERICH FP, RENDIC S: Human cytochrome P450 enzymes (human CYPs): human cytochrome P450 enzymes, a status report summarizing their reactions, substrates, inducers, and inhibitors—1st update. Drug Metab. Rev. (2002) 34:1–450.
  • BRANDON EF, RAAP CD, MEIJERMAN I, BEIJNEN JH, SCHELLENS JH: An update on in vitro test methods in human hepatic drug biotransformation research: pros and cons. Toxicol. Appl. Pharmacol. (2003) 189:233–246.
  • PLANT N: Strategies for using in vitro screens in drug metabolism. DDT (2004) 9:328–336.
  • ANDERSSON TB, SJÖBERG H, HOFFMANN K—J et al.: An assessment of human liver—derived in vitro systems to predict the in vivo metabolism and clearance of almokalant. Drug Metab. Disp. (2001) 29:712–720.
  • SALONEN JS, NYMAN L, BOOBIS AR, EDWARDS RJ et al.: Comparative studies on the CYP—associated metabolism and interaction potential of selegiline between human liver—derived in vitro systems. Drug Metab. Disp. (2003) 31:1093–1102.
  • PELKONEN O, MYLLYNEN P, TAAVITSAINEN P et al.: Carbamazepine: a ‘blind’ assessment of CYP—associated metabolism and interactions in human liver—derived in vitro systems. Xenobiotica (2001) 31:321–343.
  • TUCKER GT, HOUSTON JB, HUANG S—M: person-group-type="author">EUFEPS Conference Report. Optimising drug development: strategies to assess drug metabolism/transporter interaction potential—towards a consensus. Eur. J. Pharm. Sci. (2001) 13:417–428.
  • YUAN R, MADANI S, WEI X—X, REYNOLDS K, HUANG S—M: Evaluation of cytochrome P450 probe substrates commonly used by the pharmaceutical industry to study in vitro drug interactions. Drug Metab. Disp. (2002) 30:1311–1319.
  • WALSKY RL, OBACH RS: Validated assays for human cytochrome P450 activities. Drug Metab. Disp. (2004) 32:647–660.
  • STREETMAN DS, BERTINO JS Jr, NAFZIGER AN: Phenotyping of drug—metabolizing enzymes in adults: a review of in vivo cytochrome P450 phenotyping probes. Pharmacogenetics (2000) 10:187–216.
  • CLARKE SE, JEFFREY P: Utility of metabolic stability screening: comparison of in vitro and in vivo clearance. Xenobiotica (2001) 31:591–598.
  • OBACH RS, BAXTER JG, LISTON TE et al.: The prediction of human pharmacokinetic parameters from preclinical and in vitro metabolism data. J. Pharmacol. Exp. Ther. (1997) 283:46–58.
  • ITO K, IWATSUBO T, KANAMITSU S, NAKAJIMA Y, SUGIYAMA Y: Quantitative prediction of in vivo drug clearance and drug interactions from in vitro data on metabolism, together with binding and transport. Ann. Rev. Pharmacol. Toxicol. (1998) 38:461–499.
  • HOUSTON JB, GALETIN A: Progress towards prediction of human pharmacokinetic parameters from in vitro technologies. Drug Metab. Rev. (2003) 35:393–415.
  • 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.
  • LEE MS, KERNS EH: LC/MS applications in drug development. Mass Spectrom. Rev. (1999) 18:187–279.
  • NASSAR A—EF, TALAAT RE: Strategies for dealing with metabolite elucidation in drug discovery and development. DDT (2004) 9:317–327.
  • WILLIAMS DP, PARK BK: Idiosyncratic toxicity: the role of toxicophores and bioactivation. DDT (2003) 8:1044–1050.
  • GALETIN A, BROWN C, HALIFAX D, ITO K, HOUSTON JB: Utility of recombinant enzyme kinetics in prediction of human clearance: impact of variability, CYP3A5, and CYP2C19 on CYP3A4 probe substrates. Drug Metab. Disp. (2004) 32:1411–1420.
  • BJORNSSON TD, CALLAGHAN JT, EINOLF HJ et al.: The conduct of in vitro and in vivo drug—drug interaction studies: a Pharmaceutical Research and Manufacturers of America (PhRMA) perspective. Drug Metab. Disp. (2003) 31:815–832.
  • KREMERS P: In vitro tests for predicting drug—drug interactions: the need for validated procedures. Pharmacol. Toxicol. (2002) 91:209–217.
  • ITO K, BROWN HS, HOUSTON JB: Database analyses for the prediction of in vivo drug—drug interactions from in vitro data. Br. J. Clin. Pharmacol. (2004) 57:473–486.
  • HONKAKOSKI P, NEGISHI M: Regulation of cytochrome P450 (CYP) genes by nuclear receptors. Biochem. J. (2000) 347:321–337.
  • HONKAKOSKI P: Nuclear receptors CAR and PXR in metabolism and elimination of drugs. Curr. Pharmacogenomics (2003) 1:75–85.
  • A modular approach to the ECVAM principles on test validity. Altern. Lab. Anim. (2004) 32:467–472.
  • JOHNSON EF: Deciphering substrate recognition by drug—metabolizing cytochromes P450. Drug Metab. Disp. (2003) 31:1532–1540.
  • KEMP CA, MARECHAL JD, SUTCLIFFE MJ: Progress in cytochrome P450 active site modelling. Arch. Biochem. Biophys. (2005) 433:361–368.
  • KEMP CA, FLANAGAN JU, VAN ELDIK AJ et al. : Validation of model cytochrome P450 2D6: an in silico toll for predicting metabolism and inhibition. J. Med. Chem. (2004) 47:5340–5346.
  • LEWIS DF, MODI S, DICKINS M: Structure—activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab. Rev. (2002) 34:69–82.
  • LEWIS DF, JABOBS MN, DICKINS M: Compound lipophilicity for substrate binding to human P450s in drug metabolism. Drug Discov. Today (2004) 9:530–537.
  • EKINS S, DE GROOT MJ, JONES JP: Pharmacophore and three—dimensional quantitative structure activity relationship methods for modeling cytochrome P450 active sites. Drug Metab. Disp. (2001) 29:936–944.
  • EKINS S, BERBAUM J, HARRISON RK: Generation and validation of rapid computational filters for CYP2D6 and CYP3A4. Drug Metab. Disp. (2003) 31:1077–1080.
  • RAHNASTO M, RAUNIO H, POSO A, WITTEKINDT C, JUVONEN RO: Quantitative structure—activity relationship analysis of inhibitors of the nicotine metabolising CYP2A6 enzyme. J. Med. Chem. (2005) 48:440–449.
  • ERHARDT PW: A human drug metabolism database: potential roles in the quantitative predictions of drug metabolism and metabolism—related drug—drug interactions. Curr. Drug Metab. (2003) 4:411–422.
  • PELKONEN O, BAUMANN A, REICHEL A: Pharmacokinetic challenges in drug discovery. Ernst Schering Research Foundation Workshop 37. Springer, Berlin, Germany (2002).
  • THOMPSON TN: Early ADME in support of drug discovery: the role of metabolic stability studies. Curr. Drug Metab. (2000) 1:215–241.
  • GEBHARDT R, HENGSTLER JG, MULLER D et al.: New hepatocyte in vitro systems for drug metabolism: metabolic capacity and recommendations for application in basic research and drug development, standard operation procedures. Drug Metab. Rev. (2003) 35:145–213.
  • MASIMIREMBWA CM, BREDBERG U, ANDERSSON TB: Metabolic stability for drug discovery and development: pharmacokinetic and biochemical challenges. Clin. Pharmacokinet. (2003) 42:515–528.
  • ANSEDE JH, THAKKER DR: High—throughput screening for stability and inhibitory activity of compounds toward cytochrome P450—mediated metabolism. J. Pharm. Sci. (2004) 93:239–255.
  • GOMEZ—LECHON MJ, DONATO MT, CASTELL JV, JOVER R: Human hepatocytes in primary culture: the choice to investigate drug metabolism in man. Curr. Drug Metab. (2004) 5:443–462.

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