Physiologically based pharmacokinetic modeling: Methodology, applications, and limitations with a focus on its role in pediatric drug development

Journal of Biomedicine and Biotechnology

Volumn 2011, Issue , 2011, Pages

  Läer, Stephanie ^a   Khalil, Feras ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALFENTANIL; CLARITHROMYCIN; ETIRACETAM; FLUCONAZOLE; LEVOFLOXACIN; LIDOCAINE; MIDAZOLAM; MORPHINE; PARACETAMOL; RIFAMPICIN; SILDENAFIL; THEOPHYLLINE;

CAPILLARY PERMEABILITY; CELL COMPARTMENTALIZATION; CIRCULATION; CLINICAL DECISION MAKING; COMPUTER PROGRAM; DRUG ABSORPTION; DRUG BINDING; DRUG DIFFUSION; DRUG DISPOSITION; DRUG DISTRIBUTION; DRUG ELIMINATION; DRUG EXPOSURE; DRUG HALF LIFE; DRUG INDUSTRY; DRUG METABOLISM; ENZYME ACTIVITY; GLOMERULUS FILTRATION RATE; HEART INDEX; HEMATOCRIT; HUMAN; IONIZATION; LIPID SOLUBILITY; LIPOPHILICITY; LIVER WEIGHT; MOLECULAR WEIGHT; ORGAN BLOOD FLOW; PHYSICAL CHEMISTRY; PHYSICOCHEMICAL MODEL; PHYSIOLOGICAL PROCESS; PHYSIOLOGICALLY BASED PHARMACOKINETIC MODEL; PLASMA CLEARANCE; PLASMA CONCENTRATION-TIME CURVE; REVIEW; STRUCTURAL EQUATION MODELING; BIOLOGICAL MODEL; CHILD; CLINICAL TRIAL (TOPIC); DRUG DESIGN; PHARMACOKINETICS; RISK ASSESSMENT;

CHILD; CLINICAL TRIALS AS TOPIC; DRUG DESIGN; HUMANS; MODELS, BIOLOGICAL; PHARMACOKINETICS; RISK ASSESSMENT;

EID: 80052671545     PISSN: 11107243     EISSN: 11107251     Source Type: Journal    
DOI: 10.1155/2011/907461     Document Type: Review

References (57)

1. Nestorov I., Whole-body physiologically based pharmacokinetic models Expert Opinion on Drug Metabolism and Toxicology 2007 3 2 235 249 (Pubitemid 47321518)
2. Chen H.-S. G., Gross J. F., Physiologically based pharmacokinetic models for anticancer drugs Cancer Chemotherapy and Pharmacology 1979 2 2 85 94 (Pubitemid 9221318)
3. Himmelstein K. J., Lutz R. J., A review of the applications of physiologically based pharmacokinetic modeling Journal of Pharmacokinetics and Biopharmaceutics 1979 7 2 127 145 (Pubitemid 9205249)
4. Nestorov I., Whole body pharmacokinetic models Clinical Pharmacokinetics 2003 42 10 883 908 (Pubitemid 36995260)
5. Grass G. M., Sinko P. J., Physiologically-based pharmacokinetic simulation modelling Advanced Drug Delivery Reviews 2002 54 3 433 451 (Pubitemid 34260962)
6. Parrott N., Lave T., Applications of physiologically based absorption models in drug discovery and development Molecular Pharmaceutics 2008 5 5 760 775
7. Johnson T. N., Rostami-Hodjegan A., Resurgence in the use of physiologically based pharmacokinetic models in pediatric clinical pharmacology: parallel shift in incorporating the knowledge of biological elements and increased applicability to drug development and clinical practice Paediatric Anaesthesia 2011 21 3 291 301
8. Bouzom F., Walther B., Pharmacokinetic predictions in children by using the physiologically based pharmacokinetic modelling Fundamental and Clinical Pharmacology 2008 22 6 579 587
9. Bois F. Y., Physiologically based modelling and prediction of drug interactions Basic and Clinical Pharmacology and Toxicology 2010 106 3 154 161
10. Lupfert C., Reichel A., Development and application of physiologically based pharmacokinetic-modeling tools to support drug discovery Chemistry and Biodiversity 2005 2 11 1462 1486 (Pubitemid 41762899)
11. Rowland M., Peck C., Tucker G., Physiologically-based pharmacokinetics in drug development and regulatory science Annual Review of Pharmacology and Toxicology 2011 51 45 73
12. Espié P., Tytgat D., Sargentini-Maier M. L., Poggesi I., Watelet J. B., Physiologically based pharmacokinetics (PBPK) Drug Metabolism Reviews 2009 41 3 391 407
13. Willmann S., Lippert J., Sevestre M., Solodenko J., Fois F., Schmitt W., PK-Sim: a physiologically based pharmacokinetic whole-body model Biosilico 2003 1 4 121 124 (Pubitemid 40416764)
14. Bischoff K. B., Some fundamental considerations of the applications of pharmacokinetics to cancer chemotherapy Cancer Chemotherapy Reports 1975 59 4 777 793
15. Nestorov I. A., Aarons L. J., Arundel P. A., Rowland M., Lumping of whole-body physiologically based pharmacokinetic models Journal of Pharmacokinetics and Biopharmaceutics 1998 26 1 21 46 (Pubitemid 28429460)
16. Brochot C., Toth J., Bois F. Y., Lumping in pharmacokinetics Journal of Pharmacokinetics and Pharmacodynamics 2005 32 5-6 719 736 (Pubitemid 41772354)
17. Valentin J., Basic anatomical and physiological data for use in radiological protection: reference values: ICRP Publication 89 Annals of the ICRP 2002 32 3-4 1 277
18. Brown R. P., Delp M. D., Lindstedt S. L., Rhomberg L. R., Beliles R. P., Physiological parameter values for physiologically based pharmacokinetic models Toxicology and Industrial Health 1997 13 4 407 484 (Pubitemid 27314117)
19. Sasaki Y., Wagner H. N. Jr., Measurement of the distribution of cardiac output in unanesthetized rats Journal of Applied Physiology 1971 30 6 879 884
20. Wada D. R., Harashima H., Ebling W. F., Osaki E. W., Stanski D. R., Effects of thiopental on regional blood flows in the rat Anesthesiology 1996 84 3 596 604 (Pubitemid 26092531)
21. Poulin P., Theil F.-P., A priori prediction of tissue: plasma partition coefficients of drugs to facilitate the use of physiologically-based pharmacokinetic models in drug discovery Journal of Pharmaceutical Sciences 2000 89 1 16 35 (Pubitemid 30080151)
22. Rodgers T., Rowland M., Physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions Journal of Pharmaceutical Sciences 2006 95 6 1238 1257 (Pubitemid 43874439)
23. Schmitt W., General approach for the calculation of tissue to plasma partition coefficients Toxicology In Vitro 2008 22 2 457 467 (Pubitemid 351163539)
24. Jamei M., Marciniak S., Feng K., Barnett A., Tucker G., Rostami-Hodjegan A., The simcyp population-based ADME simulator Expert Opinion on Drug Metabolism and Toxicology 2009 5 2 211 223
25. Willmann S., Lippert J., Schmitt W., From physicochemistry to absorption and distribution: predictive mechanistic modelling and computational tools Expert Opinion on Drug Metabolism Toxicology 2005 1 1 159 168
26. Germani M., Crivori P., Rocchetti M., Burton P. S., Wilson A. G. E., Smith M. E., Poggesi I., Evaluation of a basic physiologically based pharmacokinetic model for simulating the first-time-in-animal study European Journal of Pharmaceutical Sciences 2007 31 3-4 190 201 (Pubitemid 46830884)
27. Parrott N., Jones H., Paquereau N., Lavé T., Application of full physiological models for pharmaceutical drug candidate selection and extrapolation of pharmacokinetics to man Basic and Clinical Pharmacology and Toxicology 2005 96 3 193 199 (Pubitemid 40387995)
28. De Buck S. S., Mackie C. E., Physiologically based approaches towards the prediction of pharmacokinetics: in vitro-in vivo extrapolation Expert Opinion on Drug Metabolism and Toxicology 2007 3 6 865 878 (Pubitemid 350285340)
29. Shiran M. R., Proctor N. J., Howgate E. M., Rowland-Yeo K., Tucker G. T., Rostami-Hodjegan A., Prediction of metabolic drug clearance in humans: in vitro-in vivo extrapolation vs allometric scaling Xenobiotica 2006 36 7 567 580 (Pubitemid 44174445)
30. Sun H., Pang K. S., Physiological modeling to understand the impact of enzymes and transporters on drug and metabolite data and bioavailability estimates Pharmaceutical Research 2010 27 7 1237 1254
31. Hays S. M., Elswick B. A., Blumenthal G. M., Welsch F., Conolly R. B., Gargas M. L., Development of a physiologically based pharmacokinetic model of 2- methoxyethanol and 2-methoxyacetic acid disposition in pregnant rats Toxicology and Applied Pharmacology 2000 163 1 67 74 (Pubitemid 30111978)
32. Andrew M. A., Hebert M. F., Vicini P., Physiologically based pharmacokinetic model of midazolam disposition during pregnancy Proceedings of the 30th Annual International Conference of the IEEE Engineering in Medicine and Biology Society 2008 5454 5457
33. Bjorkman S., Wada D. R., Berling B.-M., Benoni G., Prediction of the disposition of midazolam in surgical patients by a physiologically based pharmacokinetic model Journal of Pharmaceutical Sciences 2001 90 9 1226 1241 (Pubitemid 32867972)
34. Edginton A. N., Willmann S., Physiology-based simulations of a pathological condition: prediction of pharmacokinetics in patients with liver cirrhosis Clinical Pharmacokinetics 2008 47 11 743 752
35. Johnson T. N., Boussery K., Rowland-Yeo K., Tucker G. T., Rostami-Hodjegan A., A semi-mechanistic model to predict the effects of liver cirrhosis on drug clearance Clinical Pharmacokinetics 2010 49 3 189 206
36. Jones H. M., Parrott N., Ohlenbusch G., Lave T., Predicting pharmacokinetic food effects using biorelevant solubility media and physiologically based modelling Clinical Pharmacokinetics 2006 45 12 1213 1226 (Pubitemid 44904824)
37. Li J., Gwilt P. R., The effect of age on the early disposition of doxorubicin Cancer Chemotherapy and Pharmacology 2003 51 5 395 402 (Pubitemid 36649136)
38. Yang F., Tong X., McCarver D. G., Hines R. N., Beard D. A., Population-based analysis of methadone distribution and metabolism using an age-dependent physiologically based pharmacokinetic model Journal of Pharmacokinetics and Pharmacodynamics 2006 33 4 485 518 (Pubitemid 43989593)
39. Dennison J. E., Bigelow P. L., Mumtaz M. M., Andersen M. E., Dobrev I. D., Yang R. S. H., Evaluation of potential toxicity from co-exposure to three CNS depressants (toluene, ethylbenzene, and xylene) under resting and working conditions using PBPK modeling Journal of Occupational and Environmental Hygiene 2005 2 3 127 135
40. Hamelin G., Charest-Tardif G., Truchon G., Tardif R., Physiologically based modeling of n-hexane kinetics in humans following inhalation exposure at rest and under physical exertion: impact on free 2,5-hexanedione in urine and on n-hexane in alveolar air Journal of Occupational and Environmental Hygiene 2005 2 2 86 97
41. Reddy M. B., Andersen M. E., Morrow P. E., Physiological modeling of inhalation kinetics of octamethylcyclotetrasiloxane in humans during rest and exercise Toxicological Sciences 2003 72 1 3 18 (Pubitemid 36336430)
42. Clewell H. J., Gentry P. R., Covington T. R., Sarangapani R., Teeguarden J. G., Evaluation of the potential impact of age- and gender-specific pharmacokinetic differences on tissue dosimetry Toxicological Sciences 2004 79 2 381 393 (Pubitemid 38786895)
43. Clewell H. J. III, Gentry P. R., Covington T. R., Gearhart J. M., Development of a physiologically based pharmacokinetic model of trichloroethylene and its metabolites for use in risk assessment Environmental Health Perspectives 2000 108 supplement 2 283 305 (Pubitemid 30420987)
44. Clewell H. J. III, Gentry P. R., Gearhart J. M., Covington T. R., Banton M. I., Andersen M. E., Development of a physiologically based pharmacokinetic model of isopropanol and its metabolite acetone Toxicological Sciences 2001 63 2 160 172 (Pubitemid 32982789)
45. El-Masri H. A., Kenyon E. M., Development of a human physiologically based pharmacokinetic (PBPK) model for inorganic arsenic and its mono- and di-methylated metabolites Journal of Pharmacokinetics and Pharmacodynamics 2008 35 1 31 68 (Pubitemid 351420762)
46. Rowland Yeo K., Jamei M., Yang J., Tucker G. T., Rostami-Hodjegan A., Physiologically based mechanistic modelling to predict complex drug-drug interactions involving simultaneous competitive and time-dependent enzyme inhibition by parent compound and its metabolite in both liver and gut-the effect of diltiazem on the time-course of exposure to triazolam European Journal of Pharmaceutical Sciences 2010 39 5 298 309
47. Vossen M., Sevestre M., Niederalt C., Jang I. J., Willmann S., Edginton A. N., Dynamically simulating the interaction of midazolam and the CYP3A4 inhibitor itraconazole using individual coupled whole-body physiologically-based pharmacokinetic (WB-PBPK) models Theoretical Biology and Medical Modelling 2007 4, article 13
48. Zhang X., Quinney S. K., Gorski J. C., Jones D. R., Hall S. D., Semiphysiologically based pharmacokinetic models for the inhibition of midazolam clearance by diltiazem and its major metabolite Drug Metabolism and Disposition 2009 37 8 1587 1597
49. Liu X., Smith B. J., Chen C., Use of a physiologically based pharmacokinetic model to study the time to reach brain equilibrium: an experimental analysis of the role of blood-brain barrier permeability, plasma protein binding, and brain tissue binding Journal of Pharmacology and Experimental Therapeutics 2005 313 3 1254 1262 (Pubitemid 40727030)
50. Gallo J. M., Vicini P., Orlansky A., Pharmacokinetic model-predicted anticancer drug concentrations in human tumors Clinical Cancer Research 2004 10 23 8048 8058 (Pubitemid 39587546)
51. European Union, Regulation (EC) no 1901/2006 of the European Parliament and of the council of 12 december 2006 on medicinal products for paediatric use and amending regulation (EEC) no 1768/92, directive 2001/20/EC, directive 2001/83/EC and regulation (EC) no 726/2004
52. Edginton A. N., Schmitt W., Willmann S., Development and evaluation of a generic physiologically based pharmacokinetic model for children Clinical Pharmacokinetics 2006 45 10 1013 1034 (Pubitemid 44436004)
53. Hsien L., Identifying paediatric needs in cardiology and the prediction of sildenafil exposure in children with pulmonary arterial hypertension, Inauguraldissertation 2010 Dsseldorf, Germany Faculty of Mathematics and Sciences, University of Dsseldorf
54. Willmann S., Can computer simulations replace clinical pharmacokinetic Pharmazie in Unserer Zeit 2009 38 1 62 67
55. Ginsberg G., Hattis D., Russ A., Sonawane B., Physiologically based pharmacokinetic (PBPK) modeling of caffeine and theophylline in neonates and adults: implications for assessing children's risks from environmental agents Journal of Toxicology and Environmental Health 2004 67 4 297 329 (Pubitemid 38200033)
56. Bjorkman S., Prediction of drug disposition in infants and children by means of physiologically based pharmacokinetic (PBPK) modelling: theophylline and midazolam as model drugs British Journal of Clinical Pharmacology 2005 59 6 691 704 (Pubitemid 40835503)
57. Manolis E., Pons G., Proposals for model-based paediatric medicinal development within the current European Union regulatory framework British Journal of Clinical Pharmacology 2009 68 4 493 501