PBPK modeling and simulation in drug research and development

Acta Pharmaceutica Sinica B

Volumn 6, Issue 5, 2016, Pages 430-440

  Zhuang, Xiaomei ^a   Lu, Chuang ^b  

^a BEIJING INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY   (China)

^b BIOGEN   (United States)

Author keywords

Absorption; Drug drug interaction; Metabolism; PBPK; PK prediction; Special population

Indexed keywords

ORTERONEL;

AGE; ANTHROPOMETRIC PARAMETERS; BLOOD FLOW VELOCITY; DATA PROCESSING; DRUG ABSORPTION; DRUG DEVELOPMENT; DRUG DISTRIBUTION; DRUG DRUG INTERACTION; DRUG EXCRETION; DRUG INDUSTRY; DRUG INTERACTION; DRUG METABOLISM; DRUG RESEARCH; ETHNICITY; GLOMERULUS FILTRATION RATE; HEALTH STATUS; INTERMETHOD COMPARISON; KIDNEY FAILURE; METHODOLOGY; MODEL; PHARMACOKINETICS; PHYSIOLOGICALLY BASED PHARMACOKINETIC; PROCESS OPTIMIZATION; REVIEW; SIMULATION; TISSUE VOLUME;

EID: 84995395299     PISSN: 22113835     EISSN: 22113843     Source Type: Journal    
DOI: 10.1016/j.apsb.2016.04.004     Document Type: Review

References (31)

1. 1 Teorell, T., Kinetics of distribution of substances administered to the body. I. The extravascular modes of administration. Arch Int Pharmacodyn Ther 57 (1937), 205-225.
2. 2 Reddy, M., Yang, R.S.H., Clewell, H.J. III, Andersen, M.E., Physiologically based pharmacokinetic modeling: science and applications, 2005, Wiley, Hoboken, NJ.
3. 3 Rowland, M., Peck, C., Tucker, G., Physiologically-based pharmacokinetics in drug development and regulatory science. Annu Rev Pharmacol Toxicol 51 (2011), 45-73.
4. 4 Jones, H.M., Chen, Y., Gibson, C., Heimbach, T., Parrott, N., Peters, S.A., et al. Physiologically based pharmacokinetic modeling in drug discovery and development: a pharmaceutical industry perspective. Clin Pharmacol Ther 97 (2015), 247-262.
5. 5 Sinha, V., Zhao, P., Huang, S.M., Zineh, I., Physiologically based pharmacokinetic modeling: from regulatory science to regulatory policy. Clin Pharmacol Ther 95 (2014), 478-480.
6. 6 Wagner, C., Zhao, P., Pan, Y., Hsu, V., Grillo, J., Huang, S.M., et al. Application of physiologically based pharmacokinetic (PBPK) modeling to support dose selection: report of an FDA public workshop on PBPK. CPT Pharmacomet Syst Pharmacol 4 (2015), 226-230.
7. 7 Brown, R.P., Delp, M.D., Lindstedt, S.L., Rhomberg, L.R., Beliles, R.P., Physiological parameter values for physiologically based pharmacokinetic models. Toxicol Ind Health 13 (1997), 407-484.
8. 8 Jones, H.M., Parrott, N., Jorga, K., Lavé, T., A novel strategy for physiologically based predictions of human pharmacokinetics. Clin Pharmacokinet 45 (2006), 511-542.
9. 9 Jones, H.M., Dickins, M., Youdim, M., Gosset, J.R., Attkins, N.J., Hay, T.L., et al. Application of PBPK modelling in drug discovery and development at Pfizer. Xenobiotica 42 (2012), 94-106.
10. 10 Peters, S.A., Ungell, A.L., Dolgos, H., Physiologically based pharmacokinetic (PBPK) modeling and simulation: applications in lead optimization. Curr Opin Drug Discov Dev 12 (2009), 509-518.
11. 11 Shardlow, C.E., Generaux, G.T., Patel, A.H., Tai, G.Y., Tran, T., Bloomer, J.C., Impact of physiologically based pharmacokinetic modeling and simulation in drug development. Drug Metab Dispos 41 (2013), 1994-2003.
12. 12 Liu, F., Zhuang, X.M., Yang, C.P., Li, Z., Xiong, S., Zhang, Z.W., et al. Characterization of preclinical in vitro and in vivo ADME properties and prediction of human PK using a physiologically based pharmacokinetic model for YQA-14, a new dopamine D3 receptor antagonist candidate for treatment of drug addiction. Biopharm Drug Dispos 35 (2014), 296-307.
13. 13 Plowchalk, D.R., Rowland Yeo, K., Prediction of drug clearance in a smoking population: modeling the impact of variable cigarette consumption on the induction of CYP1A2. Eur J Clin Pharmacol 68 (2012), 951-960.
14. 14 Zhuang, X.M., Zhong, Y.H., Xiao, W.B., Li, H., Lu, C., Identification and characterization of psoralen and isopsoralen as potent CYP1A2 reversible and time-dependent inhibitors in human and rat preclinical studies. Drug Metab Dispos 41 (2013), 1914-1922.
15. 15 Lu, C., Suri, A., Shyu, W.C., Prakash, S., Assessment of cytochrome P450-mediated drug-drug interaction potential of orteronel and exposure changes in patients with renal impairment using physiologically based pharmacokinetic modeling and simulation. Biopharm Drug Dispos 35 (2014), 543-552.
16. 16 FDA, Center for Drug Evaluation and Research (CDER). Guidance for industry: drug interaction studies-study design, data analysis, implications for dosing, and labeling recommendations [Draft Guidance]. U.S. Department of Health and Human Services, Food and Drug Administration: Rockville, MD; 2012. Available from: 〈 http://www.fda.gov/downloads/Drugs/GuidanceComplianceRegulatoryInformation/Guidances/ucm292362.pdf〉.
17. 17 Suri, A., Chapel, S., Lu, C., Venkatakrishnan, K., Physiologically based and population PK modeling in optimizing drug development: a predict-learn-confirm analysis. Clin Pharmacol Ther 98 (2015), 336-344.
18. 18 Manolis, E., Pons, G., Proposals for model-based paediatric medicinal development within the current European Union regulatory framework. Br J Clin Pharmacol 68 (2009), 493-501.
19. 19 Parrott, N., Davies, B., Hoffmann, G., Koerner, A., Lave, T., Prinssen, E., et al. Development of a physiologically based model for oseltamivir and simulation of pharmacokinetics in neonates and infants. Clin Pharmacokinet 50 (2011), 613-623.
20. 20 EMA, Committee for Human Medicinal Products (CHMP). Guideline on the investigation of drug interactions [Final]. European Medicines Agency: London; 2012. Available from: 〈 http://www.ema.europa.eu/docs/en_GB/document_library/Scientific_guideline/2012/07/WC500129606.pdf〉.
21. 21 Vieira, M.D., Kim, M.J., Apparaju, S., Sinha, V., Zineh, I., Huang, S.M., et al. PBPK model describes the effects of comedication and genetic polymorphism on systemic exposure of drugs that undergo multiple clearance pathways. Clin Pharmacol Ther 95 (2014), 550-557.
22. 22 Wagner, C., Pan, Y., Hsu, V., Grillo, J.A., Zhang, L., Reynolds, K.S., et al. Predicting the effect of cytochrome P450 inhibitors on substrate drugs: analysis of physiologically based pharmacokinetic modeling submissions to the US Food and Drug Administration. Clin Pharmacokinet 54 (2015), 117-127.
23. 23 Peters, S.A., Jones, C.R., Ungell, A.L., Hatley, O.J.D., Predicting drug extraction in the human gut wall: assessing contributions from drug metabolizing enzymes and transporter proteins using preclinical models. Clin Pharmacokinet, 2016 Available from: 〈 http://dx.doi.org/10.1007/s40262-015-0351-6〉.
24. 24 Chu, X., Korzekwa, K., Elsby, R., Fenner, K., Galetin, A., Lai, Y., Matsson, P., et al. Intracellular drug concentrations and transporters: measurement, modeling, and implications for the liver. Clin Pharmacol Ther 94 (2013), 126-141.
25. 25 Lu, C., Li, P., Gallegos, R., Uttamsingh, V., Xia, C.Q., Miwa, G.T., et al. Comparison of intrinsic clearance in liver microsomes and hepatocytes from rats and humans: evaluation of free fraction and uptake in hepatocytes. Drug Metab Dispos 34 (2006), 1600-1605.
26. 26 Huang, S.M., PBPK as a tool in regulatory review. Biopharm Drug Dispos 33 (2012), 51-52.
27. 27 Leong, R., Vieira, M.L.T., Zhao, P., Mulugeta, Y., Lee, C.S., Huang, S.M., et al. Regulatory experience with physiologically based pharmacokinetic modeling for pediatric drug trials. Clin Pharmacol Ther 91 (2012), 926-931.
28. 28 Wagner, C., Pan, Y., Hsu, V., Sinha, V., Zhao, P., Predicting the effect of CYP3A inducers on the pharmacokinetics of substrate drugs using physiologically based pharmacokinetic (PBPK) modeling: an analysis of PBPK submissions to the US FDA. Clin Pharmacokinet 55 (2016), 475-483.
29. 29 Zhao, P., Rowland, M., Huang, S.M., Best practice in the use of physiologically based pharmacokinetic modeling and simulation to address clinical pharmacology regulatory questions. Clin Pharmacol Ther 92 (2012), 17-20.
30. 30 Zhao, P., Vieira, M.L.T., Grillo, J.A., Song, P.F., Wu, T.C., Zheng, J.H., et al. Evaluation of exposure change of nonrenally eliminated drugs in patients with chronic kidney disease using physiologically based pharmacokinetic modeling and simulation. J Clin Pharmacol 52:Suppl 1 (2012), 91S-108S.
31. 31 Zhao, P., Ragueneau-Majlessi, I., Zhang, L., Strong, J.M., Reynolds, K.S., Levy, R.H., et al. Quantitative evaluation of pharmacokinetic inhibition of CYP3A substrates by ketoconazole: a simulation study. J Clin Pharmacol 49 (2009), 351-359.