Lumping of physiologically-based pharmacokinetic models and a mechanistic derivation of classical compartmental models

Journal of Pharmacokinetics and Pharmacodynamics

Volumn 37, Issue 4, 2010, Pages 365-405

  Pilari, Sabine ^a,b   Huisinga, Wilhelm ^c  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

^c NONE

Author keywords

Classical model; Compartment PK model; Mechanistic lumping; Minimal lumped model; PBPK; Physiologically based pharmacokinetics; Transfer of knowledge; Volume of distribution

Indexed keywords

ALPRAZOLAM; AMITRIPTYLINE; AMOBARBITAL; BARBITURIC ACID DERIVATIVE; CAFFEINE; DESIPRAMINE; DIAZEPAM; DICLOFENAC; DILTIAZEM; DIPHENHYDRAMINE; FLUNITRAZEPAM; HEXOBARBITAL; IBUPROFEN; IMIPRAMINE; LIDOCAINE; METHOHEXITAL; METOPROLOL; MIDAZOLAM; PINDOLOL; SILDENAFIL; THEOPHYLLINE; THIOPENTAL; TOLBUTAMIDE; TRIAZOLAM; VALPROIC ACID; WARFARIN;

ARTICLE; COMPARTMENT MODEL; COMPUTER SIMULATION; DRUG ABSORPTION; DRUG BLOOD LEVEL; DRUG CLEARANCE; DRUG DISTRIBUTION; DRUG HALF LIFE; DRUG PENETRATION; DRUG RESEARCH; MATHEMATICAL MODEL; PERFUSION; PREDICTION; PRIORITY JOURNAL; PROCESS DEVELOPMENT; STEADY STATE;

BIOLOGICAL AVAILABILITY; COMPUTER SIMULATION; DRUG DISCOVERY; HUMANS; MODELS, BIOLOGICAL; ORGAN SPECIFICITY; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; PHYSIOLOGY; TISSUE DISTRIBUTION;

EID: 77956617346     PISSN: 1567567X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10928-010-9165-1     Document Type: Article

References (49)

1. Kwon Y (2001) Handbook of essential pharmacokinetics, pharmacodynamics, and drug metabolism for industrial scientists. Springer-Verlag, New York, Inc
2. H Derendorf LJ Lesko P Chaikin WA Colburn P Lee R Miller R Powell G Rhodes D Stanski J Venitz 2000 Pharmacokinetic/pharmacodynamic modeling in drug research and development J Clin Pharmacol 40 1399 1418 1:CAS:528: DC%2BD3cXovVSitbY%3D 11185661
3. Schoenwald RD (2002) Pharmacokinetics in drug discovery and development. CRC Press, Boca Raton
4. Tozer TN, Rowland M (2006) Introduction to pharmacokinetics and pharmacodynamics. Lippincott Williams & Wilkins, Philadelphia
5. C Lüpfert A Reichel 2005 Development and application of physiologically based pharmacokinetic modeling toos to support drug discovery Chem Biodivers 2 1462 1486 10.1002/cbdv.200590119 17191947 (Pubitemid 41762899)
6. HM Jones N Parrott K Jorga T Lavé 2006 A novel strategy for physiologically based predictions of human pharmacokinetics Clin Pharmacokinet 45 511 542 10.2165/00003088-200645050-00006 1:CAS:528:DC%2BD28Xlt1Kgsbo%3D 16640456
7. FP Theil TW Guentert S Haddad P Poulin 2003 Utility of physiologically based pharmacokinetic models to drug development and rational drug discovery candidate selection Toxicol Lett 138 29 49 10.1016/S0378-4274(02)00374-0 1:CAS:528:DC%2BD3sXmsVGgtA%3D%3D 12559691 (Pubitemid 36142054)
8. W Schmitt S Willmann 2005 Physiology-based pharmacokinetic modeling: ready to be used Drug Discov Today 2 125 132 10.1016/j.ddtec.2005.01.001 1:CAS:528:DC%2BD2MXhtFyhs7rL (Pubitemid 40946318)
9. HM Jones IB Gardner KJ Watson 2009 Modelling and PBPK simulation in drug discovery AAPS J 11 155 166 10.1208/s12248-009-9088-1 19280352
10. Bourne DWA (1995) Mathematical modeling of pharmacokinetic data. Technomic Publishing Company, Inc., Lancaster
11. IA Nestorov LJ Aarons PA Arundel M Rowland 1998 Lumping of whole-body physiologcally based pharmacokinetic models J Pharmacokinet Pharmacodyn 26 21 46 10.1023/A:1023272707390 1:CAS:528:DyaK1cXmsVGqu7s%3D
12. C Brochot J Toth FY Bois 2005 Lumping in pharmacokinetics J Pharmacokinet Pharmacodyn 32 719 736 10.1007/s10928-005-0054-y 16341473 (Pubitemid 41772354)
13. I Gueorguieva IA Nestorov M Rowland 2006 Reducing whole body physiologically based pharmacokinetic models using global sensitivity analysis: diazepam case study J Pharmacokinet Pharmacodyn 33 1 27 10.1007/s10928-005-0004- 8 1:CAS:528:DC%2BD28XjsFSlsr4%3D 16369700
14. S Björkman 2003 Reduction and lumping of physiologically based pharmacokinetic models: prediction of the disposition of fentanyl and pethidine in human by successively simplified models J Pharmacokinet Pharmacodyn 30 285 307 10.1023/A:1026194618660 14650375 (Pubitemid 37352524)
15. T Rodgers D Leahy M Rowland 2005 Physiologically based pharmacokinetic modeling 1: predicting the tissue distribution of moderate-to-strong bases J Pharm Sci 94 1259 1276 10.1002/jps.20322 1:CAS:528:DC%2BD2MXkvF2qtLs%3D 15858854 (Pubitemid 40904190)
16. T Rodgers D Leahy M Rowland 2007 Errata: Physiologically based pharmacokinetic modeling 1: predicting the tissue distribution of moderate-to-strong bases J Pharm Sci 96 3151 3152 10.1002/jps.20856 1:CAS:528:DC%2BD2sXht12jtrvK (Pubitemid 350221210)
17. T Rodgers M Rowland 2005 Physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions J Pharm Sci 95 1238 1257 10.1002/jps.20502
18. T Rodgers M Rowland 2007 Errata: physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions J Pharm Sci 96 3153 3154 10.1002/jps.20857 1:CAS:528:DC%2BD2sXht12jtrvE (Pubitemid 350221211)
19. LE Gerlowski RK Jain 1983 Physiologically based pharmacokinetic modeling: principles and application J Pharm Sci 72 1103 1127 10.1002/jps.2600721003 1:CAS:528:DyaL3sXlvVKrtrc%3D 6358460
20. IA Nestorov 2003 Whole body pharmacokinetic models Clin Pharmacokinet 42 883 908 10.2165/00003088-200342100-00002 1:CAS:528:DC%2BD3sXntlKhsr4%3D 12885263 (Pubitemid 36995260)
21. O Luttringer FP Theil P Poulin AH Schmitt-Hoffmann TW Guentert T Lavé 2003 Physiologically based pharmacokinetic modelling of disposition of epiroprim in humans J Pharm Sci 92 1990 2007 10.1002/jps.10461 1:CAS:528:DC%2BD3sXnvFOms78%3D 14502539 (Pubitemid 37175630)
22. S Willmann K Höhn A Edginton M Sevestre J Solodenko W Weiss J Lippert W Schmitt 2007 Development of a physiologically-based whole-body population model for assessing the influence of individual variability on the pharmacokinetics of drugs J Pharmacokinet Pharmacodyn 34 401 431 10.1007/s10928-007-9053-5 17431751 (Pubitemid 46873033)
23. International Commission on Radiological Protection (ICRP) (2002) Basic anatomical and physiological data for use in radiological protection: reference values. ICRP Publication 89
24. P Poulin FP Theil 2009 Development of a novel method for predicting human volume of distribution at steady-state of basic drugs and comparative assessment with existing methods J Pharm Sci 9999 1 29
25. RS Obach 1999 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 27 1350 1359 1:CAS:528:DyaK1MXntFSht7c%3D 10534321
26. RJ Riley DF McGinnity RP Austin 2005 A unified model for predicting human hepatic, metabolic clearance from in vitro intrinsic clearance data in hepatocytes and microsomes Drug Metab Dispos 33 1304 1311 10.1124/dmd.105.004259 1:CAS:528:DC%2BD2MXpsFamt74%3D 15932954 (Pubitemid 41196973)
27. T Rodgers M Rowland 2007 Mechanistic approaches to volume of distribution predictions: understanding the process Pharm Res 24 918 933 10.1007/s11095-006-9210-3 1:CAS:528:DC%2BD2sXkslWgt7c%3D 17372687 (Pubitemid 46675393)
28. HM Jones JB Houston 2004 Substrate depletion approach for determining in vitro metabolic clearance: time dependencies in hepatocyte and microsomal incubations Drug Metab Dispos 32 973 982 10.1124/dmd.104.000125 1:CAS:528:DC%2BD2cXnsVegtLc%3D 15319339 (Pubitemid 39096058)
29. DrugBank (2010) Diclofenac. http://drugbank.ca/drugs/DB00586
30. DrugBank (2010) Warfarin. http://www.drugbank.ca/drugs/DB00682
31. D Jung M Mayersohn D Perrier J Calkins R Saunders 1982 Thiopental disposition in lean and obese patients undergoing surgery Anesthesiology 56 269 274 10.1097/00000542-198204000-00007 1:STN:280:DyaL387lvValuw%3D%3D 7065435
32. H Russo N Simon MP Duboin S Urien 1997 Population pharmacokinetics of high-dose thiopental in patients with cerebral injuries Clin Pharmacol Ther 62 15 20 10.1016/S0009-9236(97)90147-8 1:CAS:528:DyaK2sXlsFWls78%3D 9246015 (Pubitemid 27327095)
33. W Löscher 1978 Serum protein binding and pharmacokinetics of valproate in man, dog, rat and mouse J Pharmacol Exp Ther 204 255 261 340640
34. Food and Drug Administration (2004) Approval letter: Lidocaine
35. GE Blakey IA Nestorov PA Arundel LJ Aarons M Rowland 1997 Quantitative structure pharmacokinetics relationship I: development of a whole-body physiologically based pharmacokinetic model to characterize changes in pharmacokinetics across a homologous series of barbiturates in the rat J Pharmacokinet Biopharm 25 277 312 10.1023/A:1025771608474 1:CAS:528: DyaK1cXptlGgtA%3D%3D 9474530 (Pubitemid 28045711)
36. M von Kleist W Huisinga 2007 Physiologically based pharmacokinetic modelling: a sub-compartmentalized model of tissue distribution J Pharmacokinet Pharmacodyn 34 789 806 10.1007/s10928-007-9071-3 (Pubitemid 350165276)
37. RN Boyes HJ Adams BR Duce 1970 Oral absorption and disposition kinetics of lidocaine hydrochloride in dogs J Pharmacol Exp Ther 174 1 8 1:CAS:528:DyaE3cXks1Cmt7w%3D 5424701
38. KK Adjepon-Yamoah DB Scott LF Prescott 1974 The effect of atropine on the oral absorption of lidocaine in man Eur J Clin Pharmacol 7 397 400 10.1007/BF00558214 1:CAS:528:DyaE2MXktVSrt7s%3D 4278602
39. LM Berezhkovskiy 2004 Volume of distribution at steady state for a linear pharmacokinetic system with peripheral elimination J Pharm Sci 93 1628 1640 10.1002/jps.20073 1:CAS:528:DC%2BD2cXks12hsrY%3D 15124219 (Pubitemid 38725033)
40. JWT Yates PA Arundel 2008 On the volume of distribution at steady state and its relationship with two-compartmental models J Pharm Sci 97 111 122 10.1002/jps.21089 1:CAS:528:DC%2BD1cXkslOrtg%3D%3D 17705153
41. P Heizmann M Eckert WH Ziegler 1983 Pharmacokinetics and bioavailability of midazolam in man Br J Clin Pharmacol 16 43 49 1:CAS:528:DyaL3sXlsFWlu7g%3D
42. K Zomorodi A Donner J Somma J Barr R Sladen J Ramsay E Geller SL Shafer 1998 Population pharmacodynamics of midazolam administered by target controlled infusion for sedation following coronary artery bypass grafting Anesthesiology 89 1418 1429 10.1097/00000542-199812000-00020 1:CAS:528:DyaK1MXhtl2huw%3D%3D 9856717 (Pubitemid 29001581)
43. EL Swart KP Zuideveld J de Jongh M Danhof LG Thijs RMJS van Schijndel 2003 Comparative population pharmacokinetics of lorazepam and midazolam during long-term continuous infusion in critically ill patients Br J Clin Pharmacol 57 135 145 10.1046/j.1365-2125.2003.01957.x
44. DR Stanski PO Maitre 1990 Population pharmacokinetics and pharmacodynamics of thiopental: the effect of age revisited Anesthesiology 72 399 402 10.1097/00000542-199003000-00003
45. R Gugler A Schell M Eichelbaum W Fröscher HU Schulz 1977 Disposition of valproic acid in man Eur J Clin Pharmacol 12 125 132 10.1007/BF00645133 1:CAS:528:DyaE1cXpvVyktA%3D%3D 336377 (Pubitemid 8195773)
46. B Blanco-Serrano MJ Otero D Santos-Buelga MJ Garcia-Sanchez J Serrano A Dominguez-Gil 1999 Population estimation of valproic acid clearance in adult patients using routine clinical pharmacokinetic data Biopharm Drug Dispos 20 233 240 10.1002/(SICI)1099-081X(199907)20:5<233::AID-BDD179>3.0.CO;2-5 1:CAS:528:DC%2BD3cXks1Wruw%3D%3D 10594867 (Pubitemid 30021067)
47. A Rostami-Hodjegan SR Peacey E George SR Heller GT Tucker 1998 Population-based modeling to demonstrate extrapancreatic effects of tolbutamide Am J Physiol Endocrinol Metab 274 758 771
48. A Kwa J Sprung M Van Guilder RW Jelliffe 2008 A population pharmacokinetic model of epidural lidocaine in geriatric patients: effects of low-dose dopamine Ther Drug Monit 30 379 389 10.1097/FTD.0b013e3181778fa3 1:CAS:528:DC%2BD1cXmsFynt7o%3D 18520611
49. PS Price RB Conolly CF Chaisson EA Gross JS Young ET Mathis DR Tedder 2003 Modeling interindividual variation in physiological factors used in PBPK models of humans Crit Rev Toxicol 33 469 503 14594104