Physiologically based pharmacokinetic modelling: A sub-compartmentalized model of tissue distribution

Journal of Pharmacokinetics and Pharmacodynamics

Volumn 34, Issue 6, 2007, Pages 789-806

  Von Kleist, Max ^a   Huisinga, Wilhelm ^b,c  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b NATIONAL UNIVERSITY OF IRELAND   (Ireland)

^c Deutsche Forschungsgemeinschaft   (Germany)

Author keywords

Lumped tissue distribution models; Mechanistic modelling; Partition coefficients; PBPK; PK PD; Unbound fraction

Indexed keywords

DRUG; WATER;

ARTICLE; CELL LEVEL; CONCENTRATION RESPONSE; DRUG BLOOD LEVEL; DRUG DISTRIBUTION; DRUG INDUSTRY; DRUG METABOLISM; ERYTHROCYTE; MATHEMATICAL MODEL; PARTITION COEFFICIENT; PHARMACOKINETICS; PREDICTION; PRIORITY JOURNAL; STEADY STATE; TISSUE DISTRIBUTION;

ANIMALS; HUMANS; MODELS, BIOLOGICAL; PHARMACOKINETICS; TISSUE DISTRIBUTION;

EID: 36448997752     PISSN: 1567567X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10928-007-9071-3     Document Type: Article

References (34)

1. Poulin P and Theil FP (2002a). Prediction of pharmacokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition. J Pharm Sci 91: 1358-1370
2. Theil FP, Guentert TW, Haddad S and Poulin P (2003). Utility of physiologically based pharmacokinetic models to drug development and rational drug discovery candidate selection. Toxicol Lett 138: 29-49
3. Jones HM, Parrott N, Jorga K and Lavé T (2006). A novel strategy for physiologically based predictions of human pharmacokinetics. Clin Pharmacokinet 45: 511-542
4. van de Waterbeemd H and Gifford E (2003). ADMET in silico modelling: towards prediction paradise?. Nat Rev Drug Discov 2: 192-204
5. Grass GM and Sinko PJ (2002). Physiologically-based pharmacokinetic simulation modelling. Adv Drug Deliv Rev 54: 433-451
6. Parrott N, Paquereau N, Coassolo P and Lavé T (2005). An evaluation of the utility of physiologically based models of pharmacokinetics in early drug discovery. J Pharm Sci 94: 2327-2343
7. Nestorov I (2003). Whole body pharmacokinetic models. Clin Pharmacokinet 42: 883-908
8. Kwon Y (2001). Handbook of essential pharmacokinetics, pharmacodynamics and drug metabolism for industrial scientists. Kluwer Academic/Plenum Publishers, New York
9. Reddy M, Yang RS, Andersen ME and Clewell HJ (2005). Physiologically based pharmacokinetic modeling. Wiley, Hoboken
10. Andersen ME (1995). Development of physiologically based pharmacokinetic and physiologically based pharmacodynamic models for applications in toxicology and risk assessment. Toxicol Lett 79: 35-44
11. Gerlowski LE and Jain RK (1983). Physiologically based pharmacokinetic modeling: principles and applications. J Pharm Sci 72: 1103-1127
12. Rodgers T, Leahy D and Rowland M (2005). Physiologically based pharmacokinetic modeling 1: predicting the tissue distribution of moderate-to-strong bases. J Pharm Sci 94: 1259-1276
13. Poulin P and Theil FP (2000). A priori prediction of tissue:plasma partition coefficients of drugs to facilitate the use of physiologically-based pharmacokinetic models in drug discovery. J Pharm Sci 89: 16-35
14. Poulin P, Schoenlein K and Theil FP (2001). Prediction of adipose tissue: plasma partition coefficients for structurally unrelated drugs. J Pharm Sci 90: 436-447
15. Lüpfert C and Reichel A (2005). Development and application of physiologically based pharmacokinetic-modeling tools to support drug discovery. Chem Biodivers 2: 1462-1486
16. Rodgers T and Rowland M (2006). Physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions. J Pharm Sci 95: 1238-1257
17. Willmann S, Lippert J and Schmitt W (2005). From physicochemistry to absorption and distribution: predictive mechanistic modelling and computational tools. Expert Opin Drug Metab Toxicol 1: 159-168
18. Kawai R, Mathew D, Tanaka C and Rowland M (1998). Physiologically based pharmacokinetics of cyclosporine A: extension to tissue distribution kinetics in rats and scale-up to human. J Pharmacol Exp Ther 287: 457-468
19. Lin JH (2006). Tissue distribution and pharmacodynamics: a complicated relationship. Curr Drug Metab 7: 39-65
20. Hinderling PH (1997). Red blood cells: a neglected compartment in pharmacokinetics and pharmacodynamics. Pharmacol Rev 49: 279-295
21. Ding X and Kaminsky LS (2003). Human extrahepatic cytochromes P450: function in xenobiotic metabolism and tissue-selective chemical toxicity in the respiratory and gastrointestinal tracts. Annu Rev Pharmacol Toxicol 43: 149-173
22. Fichtl B, Nieciecki AV and Walter K (1991). Tissue binding versus plasma binding of drugs: general principles and pharmacokinetic consequences. Adv Drug Res 20: 118-166
23. Chow HH (1997). A physiologically based pharmacokinetic model of zidovudine (azt) in the mouse: model development and scale-up to humans. J Pharm Sci 86: 1223-1228
24. Sugita O, Sawada Y, Sugiyama Y, Iga T and Hanano M (1982). Physiologically based pharmacokinetics of drug-drug interaction: a study of tolbutamide-sulfonamide interaction in rats. J Pharmacokinet Biopharm 10: 297-316
25. Berezhkovskiy LM (2004). Volume of distribution at steady state for a linear pharmacokinetic system with peripheral elimination. J Pharm Sci 93: 1628-1640
26. Rodgers T and Rowland M (2007). Mechanistic approaches to volume of distribution predictions: understanding the processes. Pharm Res 24: 918-933
27. Poulin P and Theil FP (2002b). Prediction of pharmacokinetics prior to in vivo studies. 1. Mechanism-based prediction of volume of distribution. J Pharm Sci 91: 129-156
28. Keldenich J (2004) A physiological/mechanistic model for predicting organ/plasma partitioning and volume of distribution. LogP2004 The 3rd Lipophilicity Symposium
29. Brown RP, Delp MD, Lindstedt SL, Rhomberg LR and Beliles RP (1997). Physiological parameter values for physiologically based pharmacokinetic models. Toxicol Ind Health 13: 407-484
30. Deuflhard P and Bornemann F (2002). Scientific computing with ordinary differential equations. Springer, New York
31. Hairer E and Wanner G (1996). Solving ordinary differential equations: stiff and differential-algebraic problems. Springer, New York
32. Nestorov IA, Aarons LJ, Arundel PA and Rowland M (1998). Lumping of whole-body physiologically based pharmacokinetic models. J Pharmacokinet Biopharm 26: 21-46
33. Brochot C, Toth J and Bois FY (2005). Lumping in pharmacokinetics. J Pharmacokinet Pharmacodyn 32: 719-736
34. Kola I and Landis J (2004). Can the pharmaceutical industry reduce attrition rates?. Nat Rev Drug Discov 3: 711-715