Predicting clearance in humans from in vitro data

Current Topics in Medicinal Chemistry

Volumn 11, Issue 4, 2011, Pages 334-339

  Obach, R Scott ^a  

^a PFIZER INC   (United States)

Author keywords

Aldehyde oxidase; Clearance; Cytochrome P450; Drug transporters; Glucuronidation; Intrinsic clearance; Liver micro somes

Indexed keywords

ALDEHYDE OXIDASE; AMIDASE; AMINE OXIDASE (FLAVIN CONTAINING); BUFFER; CYTOCHROME P450; ESTERASE; GLUCURONOSYLTRANSFERASE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE;

ARTICLE; DRUG CLEARANCE; DRUG DESIGN; DRUG METABOLISM; DRUG TRANSPORT; GLUCURONIDATION; HUMAN; IN VITRO STUDY; LIVER MICROSOME; NONHUMAN;

ANIMALS; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; HUMANS; METABOLIC CLEARANCE RATE; MICROSOMES, LIVER; PHARMACEUTICAL PREPARATIONS; PREDICTIVE VALUE OF TESTS;

EID: 79551661535     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/156802611794480873     Document Type: Article

References (32)

1. Di, L.; Kerns, E.H.; Ma, X.J.; Huang, Y.; Carter, G.T. Applications of high throughput microsomal stability assay in drug discovery. Comb. Chem. Throughput Screen, 2008, 11(6), 469-476.
2. Hop, C. E.; Cole, M.J.; Davidson, R. E.; Duignan, D. B.; Federico, J.; Janiszewski, J. S.; Jenkins, K.; Krueger, S.; Lebowitz, R.; Liston, T.E.; Mitchell, W.; Snyder, M.; Steyn, S. J.; Soglia, J. R.; Taylor, C.; Troutman, M. D.; Umland, J.; West, M.; Whalen, K. M.; Zelesky, V; Zhao, S. X. High throughput ADME screening: practical considerations, impact on the portfolio and enabler of in silico ADME models. Curr. Drug Metab., 2008, 9(9), 847-853.
3. Jenkins, K.M.; Angeles, R.; Quintos, M. T.; Xu, R.; Kassel, D. B.; Rourick, R. A. Automated high throughput ADME assays for metabolic stability and cytochrome P450 inhibition profiling of combinatorial libraries. J. Pharm. Biomed. Anal., 2004, 34(5), 989-1004.
4. Houston, J. B. Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance. Biochem. Pharmacol., 1994, 47(9), 1469-1479.
5. Barter, Z. E.; Bayliss, M. K.; Beaune, P. H.; Boobis, A. R.; Carlile, D. J.; Edwards, R. J.; Houston, J. B.; Lake, B. G.; Lipscomb, J. C.; Pelkonen, O. R.; Tucker, G. T.; Rostami-Hodjegan, A. Scaling factors for the extrapolation of in vivo metabolic drug clearance from in vitro data: reaching a consensus on values of human microsomal protein and hepatocellularity per gram of liver. Curr. Drug Metab., 2007, 8(1), 33-45.
6. Iwatsubo, T.; Hirota, N.; Ooie, T.; Shimada, N.; Chiba, K.; Ishizaki, T.; Green, C. E.; Tyson, C. A.; Sugiyama, Y. Prediction of in vivo drug metabolism in the human liver from in vitro metabolism data. Pharmacol. Ther., 1997, 73(2), 5147-5171.
7. Baarnhielm, C.; Dahlback, H.; Skanberg, I. In vivo pharmacokinetics of felodipine p.redicted from in vitro studies in rat, dog and man. Acta Pharmacol. Toxicol., 1986, 59(2), 113-122.
8. Pang, K. S.; Rowland, M. Hepatic clearance of drugs. I. Theoretical considerations of a well-stirred model and a parallel tube model. Influence of hepatic blood flow, plasma and blood cell binding, and the hepatocellular enzymatic activity on hepatic drug clearance. J. Pharmacokinet. Biopharm., 1977, 5(6), 625-653.
9. Paine, M. F.; Hart, H. L.; Ludington, S. S.; Haining, R. L.; Rettie, A. E.; Zeldin, D. C. The human intestinal cytochrome P450 PIE. Drug Metab. Dispos., 2006, 34(5), 880-886.
10. DeLozier, T. C.; Kissling, G. E.; Coulter, S. J.; Dai D; Foley, J. F.; Bradbury, J. A.; Murphy, E.; Steenbergen, C.; Zeldin, D.C.; Goldstein, J. A. Detection of human CYP2C8, CYP2C9, and CYP2J2 in cardiovascular tissues. Drug Metab. Dispos., 2007, 35(4), 682-688.
11. Hutzler, J. M.; Powers, F. J.; Wynalda, M. A.; Wienkers, L. C. Effect of carbonate anion on cytochrome P450 2D6-mediated metabolism in vitro: the potential role of multiple oxygenating species. Arch. Biochem. Biophys., 2003, 417(2), 165-175.
12. Yamazaki, H.; Ueng, Y. F.; Shimada, T.; Guengerich F. P. Roles of divalent metal ions in oxidations catalyzed by recombinant cytochrome p450 3a4 and replacement of nadph-cytochrome p450 reductase with other flavoproteins, ferredoxin, and oxygen surrogates. Biochemistry, 1995, 34(26), 8380-8389
13. Maenpaa, J.; Hall, S. D.; Ring, B. J.; Strom, S.C.; Wrighton, S. A. Human cytochrome P450 3A (CYP3A) mediated midazolam metabolism: the effect of assay conditions and regioselective stimulation by.alpha.-naphthoflavone, terfenadine and testosterone. Pharmacogen, 1998, 8(2), 37-155.
14. Carlile, D. J.; Hakooz, N.; Bayliss, M. K.; Houston, J. B. Microsomal prediction of in vivo clearance of CYP2C9 substrates in humans. Br. J. Clin. Pharmacol., 1999, 47(6), 625-635.
15. Rowland, A.; Elliot, D. J.; Knights, K. M.; Mackenzie, P. I.; Miners, J.O. The albumin effect and in vitro-in vivo extrapolation: sequestration of long-chain unsaturated fatty acids enhances phenytoin hydroxylation by human liver microsomal and recombinant cytochrome P450 2C9. Drug Metab. Dispos., 2008, 36(5), 870-877.
16. Obach, R. S.; Reed-Hagen, A. E. Measurement of Michaelis constants for cytochrome P450-mediated biotransformation reactions using a substrate depletion approach. Drug Metab. Dispos., 2002, 30(7), 831-837.
17. Ernster, L.; Siekevitz, P.; Palade, G. E. Enzyme-structure relations in the endoplasmic reticulum of rat liver. A morphological and biochemical study. J. Cell Biol., 1962, 15(3), 541-562.
18. Obach, R. S. Prediction of human clearance of twenty-nine 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(11), 1350-1359.
19. Sykes, M. J.; Sorich, M. J.; Miners, J. O. Molecular modeling approaches for the prediction of the nonspecific binding of drugs to hepatic microsomes. J. Chem. Inf. Model., 2006, 46(6), 2661-2673.
20. Hallifax, D.; Houston, J. B. Binding of drugs to hepatic microsomes: comment and assessment of current prediction methodology with recommendation for improvement. Drug Metab. Dispos., 2006, 34(4), 724-726.
21. Austin, R. P.; Barton, P.; Cockroft, S. L.; Wenlock, M. C.; Riley, R. J. The influence of nonspecific microsomal binding on apparent intrinsic clearance, and its prediction from physicochemical properties. Drug Metab. Dispos., 2002, 30(12), 1497-1503.
22. Gao, H.; Yao, L.; Mathieu, H. W.; Zhang, Y.; Maurer, T. S.; Troutman, M. D.; Scott, D. O.; Ruggeri, R. B.; Lin, J. In silico modeling of nonspecific binding to human liver microsomes. Drug Metab. Dispos., 2008, 36(10), 2130-2135.
23. Benet, L. Z. The drug transporter-metabolism alliance: uncovering and defining the interplay. Mol. Pharmaceut., 2009, 6(6), 1631-1643.
24. Evans, W. E.; Relling, M. V. Pharmacogenomics: Translating functional genomics into rational therapeutics. Science 1999, 286(5439), 487-491.
25. Kilford, P. J.; Stringer, R.; Sohal, B.; Houston, J. B.; Galetin, A. Prediction of drug clearance by glucuronidation from in vitro data: use of combined cytochrome P450 and UDP- glucuronosyltransferase cofactors in alamethicin-activated human liver microsomes. Drug Metab. Dispos., 2009, 37(1), 82-89.
26. Rowland, A.; Knights, K. M.; Mackenzie, P. I.; Miners, J. O. The albumin effect and drug glucuronidation: bovine serum albumin and fatty acid-free human serum albumin enhance the glucuronidation of UDP-glucuronosyltransferase (UGT) 1A9 substrates but not UGT1A1 and UGT1A6 activities. Drug Metab. Dispos., 2008, 36(6), 1056-1062.
27. Soars, M. G.; Burchell, B.; Riley, R. J. In vitro analysis of human drug glucuronidation and prediction of in vivo metabolic clearance. J. Pharmacol. Exp. Ther., 2002, 301(1), 382-390.
28. Zientek, M.; Jiang, Y.; Youdim, K.; Obach, R. S In vitro-in vivo correlation for intrinsic clearance for drugs metabolized by human aldehyde oxidase. Drug Metab. Dispos., 2010, 38(8), 1322-1327.
29. Soars, M. G.; Grime, K.; Sproston, J. L.; Webborn, P. J. H.; Riley, R. J. Use of hepatocytes to assess the contribution of hepatic uptake to clearance in vivo. Drug Metab. Dispos., 2007, 35(6), 859-865.
30. Paine, S. W.; Parker, A J.; Gardiner, P.; Webborn, P. J. H.; Riley, R. J. Prediction of the pharmacokinetics of atorvastatin, cerivastatin, and indomethacin using kinetic models applied to isolated rat hepatocytes. Drug Metab. Dispos., 2008, 36(7), 1365-1374.
31. Ghibellini, G.; Vasist, L. S.; Leslie, E. M.; Heizer, W. D.; Kowalsky, R. J.; Calvo, B. F.; Brouwer, K. L. In vitro-in vivo correlation of hepatobiliary drug clearance in humans. Clin. Pharmacol. Ther., 2007, 81(3), 406-413.
32. Wu, C. Y.; Benet, L. Z. Predicting drug disposition via application of bcs: ransport/absorption/ elimination interplay and development of a biopharmaceutics drug disposition classification system. Pharm. Res., 2005, 22(1), 11-23.