Physiologically based pharmacokinetic analyses

Krishnan, K., Clewell, H. J., Ill, and Andersen, M. E. (1994). Physiologically based pharmacokinetic analyses of simple mixtures. Environ Health Perspect 102(Suppl 9), 151-155. 

Tsukamoto Y, Kato Y, Ura M, Horii I, Ishitsuka H, Kusuhara H, Sugiyama Y. A physiologically based pharmacokinetic analysis of capecitabine, a triple prodrug of 5-FU, in humans the mechanism for tumor-selective accumulation of 5-FU. Pharm Res 2001 Aug 18(8) 1190-202. 

Y. Tsukamoto, Y. Kato, M. Ura, I. Horii, H. Ishitsuka, H. Kusuhara, Y. Sugiyama, A physiologically Based Pharmacokinetic Analysis of Capecitabine, a Triple Prodrug of 5-FU, in Humans The Mechanism for Tumor-Selective Accumulation of 5-FU , Pharm. Res. 2001, 18, 1190-1202. 

Nakajima, Y., Hattori, K., Shinsei, M., et al. Physiologically-based pharmacokinetic analysis of grepafloxadn. Biol Pharm Bull 2000, 23 1077-1083. 

Clewell RA, Merrill EA, Yu KO, Mahle DA, Sterner TR, Mattie DR, Robinson PJ, Fisher JW, Gearhart JM. 2003. Predicting fetal perchlorate dose and inhibition of iodide kinetics during gestation a physiologically-based pharmacokinetic analysis of perchlorate and iodide kinetics in the rat. Toxicol Sci 73 235-255. 

Loizou, G.D., Jones, K, Akrill, E, Dyne, D., and Cocker, J., 1999, Estimation of the dermal absorption of m-xylene vapor in humans using breath sampling and physiologically based pharmacokinetic analysis, Toxicol. Sci., 48, 170-179. 

Nestorov lA, Aarons LJ, Rowland M. Physiologically based pharmacokinetic modeling of a homologous series of barbiturates in the rat a sensitivity analysis. / Pharmacokinet Biopharm 1997 25 413-47. 

Cronin WJ, Oswald EJ, Shelley ML, et al. 1995. A trichloroethylene risk assessment using a Monte Carlo analysis of parameter uncertainty in conjunction with physiologically-based pharmacokinetic modeling. Risk Anal 15 555-565. 

Clewell HJ, Lee T, Carpenter RL. 1994. Sensitivity of physiologically based pharmacokinetic models to variation in model parameters methylene chloride. Risk Analysis 14 521-531. 

Tse, F.L.S. and Jaffe, J.M. (1991). Preclinical Drug Disposition. Marcel Dekker, New York. Vinegar, A. and Jepson, G. (1996). Cardiac sensitization thresholds of halon replacement chemicals in humans by physiologically based pharmacokinetic modeling. Risk Analysis 16 571-579. 

Peters, S.A. (2008) Evaluation of a generic physiologically based pharmacokinetic model for lineshape analysis. Clinical... 

Liu X, Smith BJ, Chen C, et al. 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. J Pharmacol Exp Ther 2005 313(3) 1254—1262. 

G. L., Gargas, M. L, Strother, D. E. Improving cancer dose-response characterization by using physiologically based pharmacokinetic modeling An analysis of pooled data for acrylonitrile-induced brain tumors to assess cancer potency in the rat. Risk Anal 2000, 20 135-151. 

Manuilov, K. K. Use of a physiologically-based pharmacokinetics model for analysis of antibiotic distribution in tissue. Int J Clin Pharmacol Ther Toxicol 1992, 30 548-549. 

Thrall KD, Poet TS. 2000. Determination of biokinetic interactions in chemical mixtures using real-time breath analysis and physiologically based pharmacokinetic modeling. J... 

Bois FY, Paxman DG. 1992. An analysis of exposure rate effects for benzene using a physiologically based pharmacokinetic model. Regul Toxicol Pharmacol 15(2) 122-136. 

Physiologically based pharmacokinetic (PBPK) models are a special type of PK model that attempts to provide more definition to the model analysis by incorporating physiological factors into the model design, like tissue volumes, blood flow rates, and species-specific enzyme characteristics that can more accurately differentiate the dose-response relationship for a chemical or drug in one species from that of another species. The power of this approach is to be able to perform laboratory studies, both in vitro and in vivo, in common experimental species... 

Timchalk, C., Kousba, A., Poet, T. (2002a). Monte Carlo analysis of the human chlorpyrifos-oxonase (PONl) polymorphism using a physiologically based pharmacokinetic and pharmacodynamic (PBPK/PD) model. Toxicol. Lett. 135 51. 

Many types of modeling techniques are available in the discovery phase of drug development, from structure activity relationships (SAR) to physiology based pharmacokinetics (PBPK) and pharmacokinetics-/pharmacodynamics (PK/PD) to help choosing some of the lead compounds. Some tests that are carried out by discovery include techniques related to structure determination, metabolism, and permeability NMR, MS/MS, elemental analysis, PAMPA, CACO-2, and in vitro metabolic stability. Although they are important as a part of physicochemical molecular characterization under the biopharmaceutics umbrella, they will not be discussed here. The reader can find relevant information in numerous monographs [9,10]. 

Dennison JE, Andersen ME, Clewell HJ, Yang RSH. Development of a physiologically based pharmacokinetic model for volatile fractions of gasoline using chemical lumping analysis. Environ Sci Technol 2004 38 5674-81. 

Hetrick DM, Jarabek AM, Travis CC. 1991. Sensitivity analysis for physiologically based pharmacokinetic models. J Pharmacokinet Biopharm 19 1-20. 

M. R. Easterling, M. V. Evans, and E. M. Kenyon, Comparative analysis of software for physiologically based pharmacokinetic modeling simulation, optimization, and sensitivity analysis. Toxicol Methods 10 203-229 (2000). 

M. V. Evans, W. D. Crank, H. M. Yang, and J. E. Simmons, Applications of sensitivity analysis to a physiologically based pharmacokinetic model for carbon tetrachloride in rats. Toxicol Appl Pharmacol 128 36-44 (1994). 

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