Physiologically-based Kinetic Modelling (PBK Modelling): Meeting the 3Rs Agenda

Gerlowski L.E. , & Jain R.K. (1983). Physiologically based pharmacokinetic modeling: principles and applications. Journal of Pharmaceutical Sciences 72, 1103–1127.

Nestorov I. (2003). Whole body pharmacokinetic models. Clinical Pharmacokinetics 42, 883–908.

Rowland M. , Balant L. , & Peck C. (2004). Physiologically based pharmacokinetics in drug development and regulatory science: A workshop report. AAPS PharmSci 6, 6–10.

Arms A.D. , & Travis C.C. (1988). EPA Report No. EPA/600/6-88/004: Reference Physiological Parameters in Pharmacokinetic Modeling, 114 pp. Washington, DC, USA: Environmental Protection Agency, Office of Health and Environmental Assessment. Available from: National Technical Information Services (NTIS), Springfield, VA 22161, USA.

Davies T. , & Morris P. (1993). Physiological parameters in laboratory animals and humans. Pharmaceutical Research 10, 1093–1095.

Brown R.P. , Delp M.D. , Lindstedt S.L. , Rhomberg L.R. , & Belilies R.P. (1997). Physiological parameter values for physiologically based pharmacokinetic models. Toxicology & Industrial Health 13, 407–484.

Price P.S. , Conolly R.B. , Chaisson C.F. , Gross E.A. , Young J.S. , Mathis E.T. , & Tedder D.T. (2003). Modeling inter-individual variation in physiological factors used in PBPK models of humans. Critical Reviews in Toxicology 33, 469–503.

Interspeciesinfo website. Available at: http://www.rivm.nl/interspeciesinfo. Utrecht, The Netherlands: RIVM (Accessed 30.05.07).

Fiserova-Bergerova V. (1995). Extrapolation of physiological parameters for physiologically based simulation models. Toxicology Letters 79, 77–86.

Blaauboer B.J. , Bayliss M.K. , Castell J.V. , Evelo C.T.A. , Frazier J.M. , Groen K. , Gülden M. , Guillouzo A. , Hissink A.M. , Houston J.B. , Johanson G. , de Jongh J. , Kedderis G.L. , Reinhardt C.A. , van de Sandt J.J. , & Semino G. (1996). The use of biokinetics and in vitro methods in toxicological risk evaluation. The report and recommendations of ECVAM Workshop 15. ATLA 24, 473–497.

Blaauboer B.J. (2002). The necessity of biokinetic information in the interpretation of in vitro toxicity data. ATLA 30 Suppl. 2, 85–91.

Boobis A. , Gundert-Remy U. , Kremers P. , Macheras P. , & Pelkonen O. (2002). In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15. European Journal of Pharmaceutical Sciences 17, 183–193.

de Jongh J. , Nordin-Andersson M. , Ploeger B. , & Forsby A. (1999). Estimation of systemic toxicity of acrylamide by integration of in vitro toxicity data with kinetic simulations. Toxicology & Applied Pharmacology 158, 261–268.

Gubbels-van Hal W.M. , Blaauboer B.J. , Barentsen H.M. , Hoitink M.A. , Meerts I.A. , & van der Hoeven J.C. (2005). An alternative approach for the safety evaluation of new and existing chemicals, an exercise in integrated testing. Regulatory Toxicology & Pharmacology 42, 284–295.

Blaauboer B.J. (2003). The integration of data on physico–chemical properties, in vitro-derived toxicity data and physiologically based kinetic and dynamic as modelling a tool in hazard and risk assessment. A commentary. Toxicology Letters 138, 161–171.

Blaauboer B.J. (2003). Biokinetic and toxicodynamic modelling and its role in toxicological research and risk assessment. ATLA 31, 277–281.

Verwei M. , van Burgsteden J.A. , Krul C.A.M. , van de Sandt J.J.M. , & Freidig A.P. (2006). Prediction of in vivo embryotoxic effect levels with a combination of in vitro studies and PBPK modelling. Toxicology Letters 165, 79–87.

Anon. (2003). Directive 2003/15/EC of the European Parliament and of The Council of 27 February 2003 amending Council Directive 76/768/EEC on the approximation of the laws of the Member States relating to cosmetic products. Official Journal of the European Communities L66, 26–35.

Anon. (2006). Regulation (EC) No 1907/2006 of the European Parliament and of the Council of 18 December 2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency, amending Directive 1999/45/EC and repealing Council Regulation (EEC) No 793/93 and Commission Regulation (EC) No 1488/94 as well as Council Directive 76/769/EEC and Commission Directives 91/155/EEC, 93/67/EEC, 93/105/EC and 2000/21/EC. Official Journal of the European Communities L396, 1–849.

Haddad S. , Beliveau M. , Tardif R. , & Krishnan K. (2001). A PBPK modeling-based approach to account for interactions in the health risk assessment of chemical mixtures. Toxicological Sciences 63, 125–131.

Krishnan K. , Haddad S. , Beliveau M. , & Tardif R. (2002). Physiological modeling and extrapolation of pharmacokinetic interactions from binary to more complex chemical mixtures. Environmental Health Perspectives 110 Suppl. 6, 989–994.

Brightman F.A. , Leahy D.E. , Searle G.E. , & Thomas S. (2006). Application of a generic physiologically based pharmacokinetic model to the estimation of xenobiotic levels in rat plasma. Drug Metabolism & Disposition 34, 84–93.

Brightman F.A. , Leahy D.E. , Searle G.E. , & Thomas S. (2006). Application of a generic physiologically based pharmacokinetic model to the estimation of xenobiotic levels in human plasma. Drug Metabolism & Disposition 34, 94–101.

Steimer J.L. , Kawai R. , Charnick S. , Lemarechal M.O. , Francheteau P. , Merdjan H. , & Sato H. (1994). Physiological pharmacokinetic/pharmacodynamic (PB-PK/PD) models in drug development? In Measurement and Kinetics of In Vivo Drug Effects, 2nd International Symposium, April 14–16, 1994, Noordwijkerhout, The Netherlands (ed. Danhof M. , & Peck C.C. ), pp. 42–47. Leiden, The Netherlands: Leiden/Amsterdam Centre for Drug Research (LACDR).

Parrott N. , Jones H. , Paquereau N. , & Lavé T. (2005). Application of full physiological models for pharmaceutical drug candidate selection and extrapolation of pharmacokinetics to man. Basic & Clinical Pharmacology & Toxicology 96, 193–199.

Parrott N. , Paquereau N. , Coassolo P. , & Lavé T. (2005). An evaluation of the utility of physiologically based models of pharmacokinetics in early drug discovery. Journal of Pharmaceutical Sciences 94, 2327–2343.

Jones H.M. , Parrott N. , Jorga K. , & Lavé T. (2006). A novel strategy for physiologically based predictions of human pharmacokinetics. Clinical Pharmacokinetics 45, 511–542.

Nestorov I.A. , Aarons L.J. , Arundel P.A. , & Rowland M. (1998). Lumping of whole-body physiologically based pharmacokinetic models. Journal of Pharmacokinetics & Biopharmaceutics 26, 21–46.

Rostami-Hodjegan A. , & Tucker G.T. (2007). Simulation and prediction of in vivo drug metabolism in human populations from in vitro data. Nature Reviews Drug Discovery 6, 140–148.

Tucker G.T. , Houston J.B. , & Huang S.M. (2001). Optimizing drug development: strategies to assess drug metabolism/transporter interaction potential — towards a consensus. British Journal of Clinical Pharmacology 52, 107–117.

Barton H.A. , Chiu W.A. , Setzer R.W. , Andersen M.E. , Bailer A.J. , Bois F.Y. , DeWoskin R.S. , Hays S. , Johanson G. , Jones N. , Loizou G. , MacPhail R.C. , Portier C.J. , Spendiff M. , & Tan Y-M. (2007). Characterizing uncertainty and variability in physiologically based pharmacokinetic (PBPK) models: State of the science and needs for research and implementation. Toxicological Sciences 99, 395–402.

International Workshop on the Development of Good Modelling Practice for PBPK Models. Mediterranean Agronomic Institute of Chania, Crete, Greece. April 26–28, 2007. Available at: http://www.hsl.gov.uk/news/news_pbpk.htm (Accessed 11.09.07).

COST Action B25 (2006). Physiologically-based Pharmaco–Toxicokinetics and Dynamics. Strasbourg, France: COST-ESF. Available at: http://www.cost.esf.org/index.php?id=383 (Accessed 11.09.07).

Pfaller W. , Balls M. , Clothier R.D. , Coecke S. , Dierickx P. , Ekwall B. , Hanley B.A. , Hartung T. , Prieto P. , Ryan M.P. , Schmuck G. , Sladowski D. , Vericat J-A. , Wendel A. , Wolf A. , & Zimmer J. (2001). Novel advanced in vitro methods for long-term toxicity testing. The report and recommendations of ECVAM Workshop 45. ATLA 29, 393–426.

Clark L.H. , Setzer R.W. , & Barton H.A. (2004). Framework for evaluation of physiologically based pharmacokinetic models for use in safety or risk assessment. Risk Analysis 24, 1697–1718.

US Environmental Protection Agency (2006). Approaches for the Application of Physiologically Based Pharmacokinetic (PBPK) Models and Supporting Data in Risk Assessment, EPA/600/R-05/043F, 123 pp. Washington, DC, USA: EPA National Center for Environmental Assessment. Available at: http://cfpub.epa.gov/ncea/cfm/recordisplay.cfm?deid=157668 (Accessed 11.09.07).