Translation of in vitro metabolic data to predict in vivo drug-drug interactions: IVIVE and modeling and simulations

Enzyme- and Transporter-Based Drug-Drug Interactions: Progress and Future Challenges

Volumn , Issue , 2010, Pages 317-341

  Rostami Hodjegan, Amin ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77955280612     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1007/978-1-4419-0840-7_13     Document Type: Chapter

References (64)

1. Almond LM, Yang J, Jamei M, Tucker GT and Rostami-Hodjegan A (2009) Towards a quantitative framework for the prediction of DDIs arising from cytochrome P450 induction. Curr Drug Metab 10:420-432
2. Barter ZE, Bayliss MK, Beaune PH, Boobis AR, Carlile DJ, Edwards RJ, Houston JB, Lake BG, Lipscomb JC, Pelkonen OR, Tucker GT and Rostami-Hodjegan A (2007) 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 8:33-45.
3. Berezhkovskiy LM (2004) Volume of distribution at steady state for a linear pharmacokinetic system with peripheral elimination. J Pharm Sci 93:1628-1640.
4. Buckman S, Huang SM and Murphy S (2007) Medical product development and regulatory science for the 21st century: the critical path vision and its impact on health care. Clin Pharmacol Ther 81:141-144.
5. Carlson SP, Ragueneau-Majlessi I, Bougan TE and Levy RH (2002) Development of a metabolic drug interaction database at the University of Washington, in: Drug-Drug Interactions (Rodrigues AD ed), pp 650, Marcel Dekker, New York & Basel.
6. Einolf HJ (2007) Comparison of different approaches to predict metabolic drug-drug interactions. Xenobiotica 37:1257-1294.
7. Ernest CS, 2nd, Hall SD and Jones DR (2005) Mechanism-based inactivation of CYP3A by HIV protease inhibitors. J Pharmacol Exp Ther 312:583-591.
8. Fahmi OA, Maurer TS, Kish M, Cardenas E, Boldt S and Nettleton D (2008) A combined model for predicting CYP3A4 clinical net drug-drug interaction based on CYP3A4 inhibition, inactivation, and induction determined in vitro. Drug Metab Dispos 36:1698-1708.
9. Foisy MM, Yakiwchuk EM and Hughes CA (2008) Induction effects of ritonavir: implications for drug interactions. Ann Pharmacother 42:1048-1059.
10. Food and Drug Administration (FDA) (2006) Food and Drug Administration (FDA). Guidance for industry: drug interaction studies - study design, data analysis, and implications for dosing and labeling, in http://www.fda.gov/cber/ gdlns/interactstud.pdf
11. Ghanbari F, Rowland-Yeo K, Bloomer JC, Clarke SE, Lennard MS, Tucker GT and Rostami-Hodjegan A (2006) A critical evaluation of the experimental design of studies of mechanism based enzyme inhibition, with implications for in vitro-in vivo extrapolation. Curr Drug Metab 7:315-334.
12. Ghibellini G, Vasist LS, Hill TE, Heizer WD, Kowalsky RJ and Brouwer KL (2006) Determination of the biliary excretion of piperacillin in humans using a novel method. Br J Clin Pharmacol 62:304-308.
13. Ghibellini G, Vasist LS, Leslie EM, Heizer WD, Kowalsky RJ, Calvo BF and Brouwer KL (2007) In vitro-in vivo correlation of hepatobiliary drug clearance in humans. Clin Pharmacol Ther 81:406-413.
14. Grime KH, Bird J, Ferguson D and Riley RJ (2009) Mechanism-based inhibition of cytochrome P450 enzymes: an evaluation of early decision making in vitro approaches and drug-drug interaction prediction methods. Eur J Pharm Sci 36:175-191.
15. Hsu A, Granneman GR and Bertz RJ (1998) Ritonavir. Clinical pharmacokinetics and interactions with other anti-HIV agents. Clin Pharmacokinet 35:275-291.
16. Huang SM and Lesko LJ (2009) The need for multiple doses of 400 mg ketoconazole as a precipitant inhibitor of a CYP3A substrate in an in vivo drug-drug interaction study. J Clin Pharmacol 49:370.
17. Isoherranen N, Kunze KL, Allen KE, Nelson WL and Thummel KE (2004) Role of itraconazole metabolites in CYP3A4 inhibition. Drug Metab Dispos 32:1121-1131.
18. Ito K, Brown HS and Houston JB (2004) Database analyses for the prediction of in vivo drug-drug interactions from in vitro data. Br J Clin Pharmacol 57:473-486.
19. Ito K, Chiba K, Horikawa M, Ishigami M, Mizuno N, Aoki J, Gotoh Y, Iwatsubo T, Kanamitsu S, Kato M, Kawahara I, Niinuma K, Nishino A, Sato N, Tsukamoto Y, Ueda K, Itoh T and Sugiyama Y (2002) Which concentration of the inhibitor should be used to predict in vivo drug interactions from in vitro data?. AAPS Pharm Sci 4:E25.
20. ® population-based ADME simulator. Expert Opin Drug Metab Toxicol: in press.
21. Jamei M, Turner D, Yang J, Neuhoff S, Polak S, Rostami-Hodjegan A and Tucker GT (2009b) Population-based mechanistic prediction of oral drug absorption. AAPS J 11:225-237.
22. Janku I (1993) Physiological modelling of renal drug clearance. Eur J Clin Pharmacol 44:513-519.
23. Johnson TN, Kerbusch T, Jones B, Tucker GT, Rostami-Hodjegan A and Milligan PA (2009) Assessing the efficiency of mixed effects modelling in quantifying metabolism based drugdrug interactions: using in vitro data as an aid to assess study power. Pharm Stat: Mar. 16. [Epub ahead of print].
24. Kanamitsu S, Ito K, Suganiyama Y (2000) Quantitative prediction of in vivo drug-drug interactions from in vito data based on physiological pharmacokinetics: use of maximum unbound concentration of inhibitor at the inlet to the liver. Pham Res 17:336-343.
25. Kenny JR, Chen L, McGinnity DF, Grime K, Shakesheff KM, Thomson B and Riley R (2008) Efficient assessment of the utility of immortalized Fa2N-4 cells for cytochrome P450 (CYP) induction studies using multiplex quantitative reverse transcriptase-polymerase chain reaction (qRT-PCR) and substrate cassette methodologies. Xenobiotica 38:1500-1517.
26. Kozawa M, Honma M and Suzuki H (2009) Quantitative prediction of in vivo profiles of CYP3A4 induction in humans from in vitro results with reporter gene assay. Drug Metab Dispos 37:1234-1241.
27. Krayenbuhl JC, Vozeh S, Kondo-Oestreicher M and Dayer P (1999) Drug-drug interactions of new active substances: mibefradil example. Eur J Clin Pharmacol 55:559-565.
28. Lalonde RL, Kowalski KG, Hutmacher MM, Ewy W, Nichols DJ, Milligan PA, Corrigan BW, Lockwood PA, Marshall SA, Benincosa LJ, Tensfeldt TG, Parivar K, Amantea M, Glue P, Koide H and Miller R (2007) Model-based drug development. Clin Pharmacol Ther 82:21-32.
29. Levy G (1980) Effect of plasma protein binding on renal clearance of drugs. J Pharm Sci 69:482-483.
30. Luo G, Cunningham M, Kim S, Burn T, Lin J, Sinz M, Hamilton G, Rizzo C, Jolley S, Gilbert D, Downey A, Mudra D, Graham R, Carroll K, Xie J, Madan A, Parkinson A, Christ D, Selling B, Le Cluyse E and Gan LS (2002) CYP3A4 induction by drugs: correlation between a pregnane X receptor reporter gene assay and CYP3A4 expression in human hepatocytes. Drug Metab Dispos 30:795-804.
31. Magnusson MO (2007) Pharmacodynamics of enzyme induction and its consequence for substrate elimination, in Faculty of Pharmacy, p 64, Uppsala University, Uppsala.
32. Martin P, Riley R, Back DJ and Owen A (2008) Comparison of the induction profile for drug disposition proteins by typical nuclear receptor activators in human hepatic and intestinal cells. Br J Pharmacol 153:805-819.
33. Obach RS, Walsky RL, Venkatakrishnan K, Gaman EA, Houston JB and Tremaine LM (2006) The utility of in vitro cytochrome P450 inhibition data in the prediction of drug-drug interactions. J Pharmacol Exp Ther 316:336-348.
34. Ogilvie BW, Zhang D, Li W, Rodrigues AD, Gipson AE, Holsapple J, Toren P and Parkinson A (2006) Glucuronidation converts gemfibrozil to a potent, metabolism-dependent inhibitor of CYP2C8: implications for drug-drug interactions. Drug Metab Dispos 34:191-197.
35. Ohno Y, Hisaka A and Suzuki H (2007) General framework for the quantitative prediction of CYP3A4-mediated oral drug interactions based on the AUC increase by coadministration of standard drugs. Clin Pharmacokinet 46:681-696.
36. Ohno Y, Hisaka A, Ueno M and Suzuki H (2008) General framework for the prediction of oral drug interactions caused by CYP3A4 induction from in vivo information. Clin Pharmacokinet 47:669-680.
37. Orlando R, De Martin S, Pegoraro P, Quintieri L and Palatini P (2009) Irreversible CYP3A inhibition accompanied by plasma protein-binding displacement: a comparative analysis in subjects with normal and impaired liver function. Clin Pharmacol Ther 85:319-326.
38. Pang KS (2003) Modeling of intestinal drug absorption: roles of transporters and metabolic enzymes (for the Gillette Review Series). Drug Metab Dispos 31:1507-1519.
39. Pang KS and Chiba M (1994) Metabolism: scaling up from in vitro to organ and whole body, in Pharmacokinetics of Drugs (Welling PG and Balant LP eds), pp 101-187, Springer-Verlag, New York.
40. Peters SA (2008) Evaluation of a generic physiologically based pharmacokinetic model for lineshape analysis. Clin Pharmacokinet 47:261-275.
41. Poulin P and Theil FP (2002) Prediction of pharmacokinetics prior to in vivo studies. 1. Mechanism-based prediction of volume of distribution. J Pharm Sci 91:129-156.
42. Riley RJ, Grime K and Weaver R (2007) Time-dependent CYP inhibition. Expert Opin Drug Metab Toxicol 3:51-66.
43. Rodgers T and Rowland M (2007) Mechanistic approaches to volume of distribution predictions: understanding the processes. Pharm Res 24:918-933.
44. Rostami-Hodjegan A (2009) Predicting inter-individual variability of metabolic drug-drug interactions: identifying the causes and accounting for them using systems approach, in Enzyme Inhibition in Drug Discovery and Development: The Good and the Bad (Lu C and Li AP eds), pp (in press), John WHey & Sons, Inc., New Jersey.
45. Rostami-Hodjegan A, Jackson PR and Tucker GT (1994) Sensitivity of indirect metrics for assessing "rate" in bioequivalence studies-moving the "goalposts" or changing the "game". J Pharm Sci 83:1554-1557.
46. Rostami-Hodjegan A and Tucker GT (2004) 'In silico' simulations to assess the 'in vivo' consequences of 'in vitro' metabolic drug-drug interactions. Drug Discov Today: Technol 1:441-448.
47. Rostami-Hodjegan A and Tucker GT (2007) Simulation and prediction of in vivo drug metabolism in human populations from in vitro data. Nat Rev Drug Discov 6:140-148.
48. Rowland M and Matin SB (1973) Kinetics of drug-drug interactions. J Pharmacokinet Biopharm 1:553-567.
49. Shou M, Hayashi M, Pan Y, Xu Y, Morrissey K, Xu L and Skiles GL (2008) Modeling, prediction, and in vitro in vivo correlation of CYP3A4 induction. Drug Metab Dispos 36:2355-2370.
50. Song IS, Shin HJ, Shim EJ, Jung IS, Kim WY, Shon JH and Shin JG (2008) Genetic variants of the organic cation transporter 2 influence the disposition of metformin. Clin Pharmacol Ther 84:559-562.
51. Sugano K (2009) Introduction to computational oral absorption simulation. Expert Opin Drug Metab Toxicol 5:259-293.
52. Tam D, Tirona RG and Pang KS (2003) Segmental intestinal transporters and metabolic enzymes on intestinal drug absorption. Drug Metab Dispos 31:373-383.
53. Tucker GT (1981) Measurement of the renal clearance of drugs. Br J Clin Pharmacol 12:761-770.
54. Urban TJ, Brown C, Castro RA, Shah N, Mercer R, Huang Y, Brett CM, Burchard EG and Giacomini KM (2008) Effects of genetic variation in the novel organic cation transporter, OCTN1, on the renal clearance of gabapentin. Clin Pharmacol Ther 83:416-421.
55. Venkatakrishnan K and Obach RS (2005) In vitro-in vivo extrapolation of CYP2D6 inactivation by paroxetine: prediction of nonstationary pharmacokinetics and drug interaction magnitude. Drug Metab Dispos 33:845-852.
56. Venkatakrishnan K and Obach RS (2007) Drug-drug interactions via mechanism-based cytochrome P450 inactivation: points to consider for risk assessment from in vitro data and clinical pharmacologic evaluation. Curr Drug Metab 8:449-462.
57. Wang YH, Jones DR and Hall SD (2004) Prediction of cytochrome P450 3A inhibition by verapamil enantiomers and their metabolites. Drug Metab Dispos 32:259-266.
58. Wang ZJ, Yin OQ, Tomlinson B and Chow MS (2008) OCT2 polymorphisms and in-vivo renal functional consequence: studies with metformin and cimetidine. Pharmacogenet Genom 18:637-645.
59. Watanabe T, Kusuhara H, Maeda K, Shitara Y and Sugiyama Y (2009) Physiologically based pharmacokinetic modeling to predict transporter-mediated clearance and distribution of pravastatin in humans. J Pharmacol Exp Ther 328:652-662.
60. Wienkers LC and Heath TG (2005) Predicting in vivo drug interactions from in vitro drug discovery data. Nat Rev Drug Discov 4:825-833.
61. Yang J, Jamei M, Yeo KR, Tucker GT and Rostami-Hodjegan A (2007) Prediction of intestinal first-pass drug metabolism. Curr Drug Metab 8:676-684.
62. Yang J, Liao M, Shou M, Jamei M, Yeo KR, Tucker GT and Rostami-Hodjegan A (2008) Cytochrome p450 turnover: regulation of synthesis and degradation, methods for determining rates, and implications for the prediction of drug interactions. Curr Drug Metab 9:384-394.
63. Yang JS, Kjellsson M, Rostami-Hodjegan A and Tucker GT (2003) The effects of dose staggering on metabolic drug-drug interactions. Eur J Pharm Sci 20:223-232.
64. Zhao P, Ragueneau-Majlessi I, Zhang L, Strong JM, Reynolds KS, Levy RH, Thummel KE and Huang SM (2009) Quantitative evaluation of pharmacokinetic inhibition of CYP3A substrates by ketoconazole: a simulation study. J Clin Pharmacol 49:351-359.