A Paradigm Shift in Pharmacokinetic-Pharmacodynamic (PKPD) Modeling: Rule of Thumb for Estimating Free Drug Level in Tissue Compared with Plasma to Guide Drug Design

Journal of Pharmaceutical Sciences

Volumn 104, Issue 7, 2015, Pages 2359-2368

  Poulin, Patrick ^a  

^a NONE   (Canada)

Author keywords

ADME; disposition; distribution; partition coefficients; PBPK; pharmacodynamics; pharmacokinetics; PKPD; unbound fraction

Indexed keywords

AREA UNDER THE CURVE; ARTICLE; DRUG BLOOD LEVEL; DRUG CLEARANCE; DRUG DESIGN; DRUG IONIZATION; DRUG TISSUE LEVEL; HEART MUSCLE CELL; IN VITRO STUDY; IN VIVO STUDY; LIPOPHILICITY; MAXIMUM PLASMA CONCENTRATION; PH; PHARMACODYNAMICS; PHARMACOKINETICS; PHARMACOLOGICAL PARAMETERS; PHARMACOLOGY; PLASMA PROTEIN BINDING; SIMULATION; TOXICOLOGY; BIOLOGICAL MODEL; COMPUTER SIMULATION; HUMAN; METABOLISM; PHYSIOLOGY; PLASMA; TISSUE DISTRIBUTION;

DRUG;

COMPUTER SIMULATION; DRUG DESIGN; HUMANS; MODELS, BIOLOGICAL; PHARMACEUTICAL PREPARATIONS; PLASMA; TISSUE DISTRIBUTION;

EID: 84934956120     PISSN: 00223549     EISSN: 15206017     Source Type: Journal    
DOI: 10.1002/jps.24468     Document Type: Article

References (28)

1. Mariappan TT, Mandlekar S, Marathe P,. 2013. Insight into tissue free concentration: Utility in drug discovery and development. Curr Drug Metab 14: 324-340.
2. Smith DA, Di L, Kerns EH, 2010. The effect of plasma protein binding on in vivo efficacy: Misconceptions in drug discovery. Nat Rev 9: 929-939.
3. Mueller M, dela Pena A, Derendorf H,. 2004. Issues in pharmacokinetics and pharmacodynamics of anti-infective agents: Distribution in tissue. Antimicrob Agents Chemother 48: 1441-1453.
4. Mouton JW, Theuretzbacher U, Craig WA, Tulkens PM, Derendorf H, Cars O,. 2008. Tissue concentrations: Do we ever learn? J Antimicrob Chemother 61: 235-237.
5. Poulin P., 2015. Drug distribution to human tissues: Prediction and examination of the basic assumption in in vivo pharmacokinetics-pharmacodynamics (PK/PD) research. J Pharm Sci. DOI 10.1002/jps.24427. [Epub ahead of print.]
6. Ruark CD, Hack CE, Robinson PJ, Mahle DA, Gearhart M,. 2014. Predicting passive and active tissue:plasma partition coefficients: Interindividual and interspecies variability. J Pharm Sci 103: 2189-2198.
7. Poulin P, Jones RDO, Jones HM, Gibson CR, Rowland M, Chien JY, Ring BJ, Adkison KK, Ku MS, He H, Vuppugalla R, Marathe P, Fischer V, Dutta S, Sinha VK, Bjornsson T, Lavé T, Yates JWT,. 2011. PhRMACPCDC initiative on predictive models of human pharmacokinetics. 5. Prediction of plasma concentration-time profiles in human by using the physiologically-based pharmacokinetic (PBPK) approach. J Pharm Sci 100: 4127-4157.
8. Peyret T, Poulin P, Krishnan K,. 2011. A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals. Toxicol Appl Pharmacol 249: 197-207.
9. Poulin P, Haddad S,. 2012. Advancing prediction of tissue distribution and volume of distribution of highly lipophilic compounds from simplified tissue composition-based models as a mechanistic animal alternative method. J Pharm Sci 101: 2250-2261.
10. Poulin P, Chen YH, Ding X, Gould SE, Hop ECJ, Messick K, Oeh J, Liederer B,. 2015. Prediction of drug distribution in subcutaneous xenografts of human tumor cell lines and healthy tissues in mouse: Application of the tissue composition-based model to antineoplastic drugs. J Pharm Sci 104: 1508-1521.
11. ss from in vitro tissue-binding studies. DMD 38: 115-121.
12. Brunner M, Drendorf H, Müller M,. 2005. Microdialysis for in vivo pharmacokinetic/pharmacodynamic characterization of anti-infective drugs. Curr Opinion Pharmacol 5: 495-499.
13. Mateus A, Matsson P, Artusson A,. 2013. Rapid measurement of intracellular unbound drug concentrations. Mol Pharmacol 10: 2467-2478.
14. Berezhkovskiy LM., 2010. The corrected traditional equations for calculation of hepatic clearance that account for the difference in drug ionisation in extracellular and intracellular tissue water and the corresponding corrected PBPK equation. J Pharm Sci 100: 1167-1183.
15. Poulin P, Hop ECJ, Haddad S, Kenny JT,. 2012. Comparative assessment of in vitro-in vivo extrapolation methods used for predicting hepatic metabolic clearance of drugs. J Pharm Sci 101: 4308-4326.
16. Toutain PL, Bousquet-Mélou A,. 2004. Volumes of distribution. J Vet Pharmacol Ther 27: 441-453.
17. Tylutki Z1, Polak S,. 2015. Plasma vs. heart tissue concentration in humans-Literature data analysis of drugs distribution. Biopharm Drug Dispos. DOI 10.1002/bdd.1944. [Epub ahead of print.]
18. Zhu L, Zhang Y, Yang J, Wang Y, Zhang J, Zhao Y, Dong W,. 2015. Prediction of the pharmacokinetics and tissue distribution of levofloxacin in humans based on an extrapolated PBPK model. Eur J Drug Metab Pharmacokinet. DOI 10.1007/s13318-015-0271-8. [Epub ahead of print.]
19. Poulin P, Haddad S,. 2011. Microsome composition-based model as a mechanistic tool to predict non-specific binding in liver microsomes. J Pharm Sci 100: 4501-4517.
20. Poulin P, Haddad S,. 2013. Hepatocyte composition-based model as a mechanistic tool for predicting the cell:medium partition coefficients of drugs in incubation mediums. J Pharm Sci 102: 2806-2818.
21. Cristofoletti R, Dressman J,. 2014. Use of physiologically based pharmacokinetic models coupled with pharmacodynamic models to assess the clinical relevance of current bioequivalence criteria for generic drug products containing ibuprofen. J Pharm Sci 103: 3263-3275.
22. Yoon M, Campbell JL, Andersen ME, Clewell HJ,. 2012. Quantitative in vitro to in vivo extrapolation of cell-based toxicity assay results. Crit Rev Toxicol 42: 633-652.
23. Pérya ARR, Brochota C, Zemana FA, Mombellia E, Desmotsb S, Pavanc M, Fioravanzoc E, Zaldívard JM,. 2013. Prediction of dose-hepatotoxic response in humans based on toxicokinetic/toxicodynamic modeling with or without in vivo data: A case study with acetaminophen. Toxicol Lett 220: 26-34.
24. Chetty M, Rose RH, Abduljalil K, Patel N, Lu G, Cain T, Jamei M, Rostami-Hodjegan A,. 2014. Applications of linking PBPK and PD models to predict the impact of genotypic variability, formulation differences, differences in target binding capacity and target site drug concentrations on drug responses and variability. Front Pharmacol 26: 258.
25. Jones HM, Barton HA, Lai Y, Bi YA, Kimoto E, Kempshall S, Tate SC, El-Kattan A, Houston JB, Galetin A, Fenner KS,. 2012. Mechanistic pharmacokinetic modeling for the prediction of transporter-mediated disposition in humans from sandwich culture human hepatocyte data. DMD 40: 1007-1017.
26. Hudachek SF, Gustafson DL,. 2013. Incorporation of ABCB1-mediated transport into a physiologically-based pharmacokinetic model of docetaxel in mice. J Pharmacokinet Pharmacodyn 40: 437-449.
27. Haddad S, Poulin P, Funk C,. 2010. Extrapolating in vitro metabolic interactions to isolated perfused liver: Prediction of metabolic interactions between bufarolol, bunitrolol and debrisoquine. J Pharm Sci 99: 4406-4426.
28. Levitt DG,. 2003. The pharmacokinetics of the interstitial space in humans. BMC Clin Pharmacol 3: 3.