Physiologically-Based Pharmacokinetic Modeling and Bioactivation of Xenobiotics

Adolph, E.F. (1949). "Quantitative relations in the physiological constitutions of mammals." Science 109:579-585.

Andersen, M.E. (1981). "Saturable metabolism and its relation to toxicity." Crit. Rev. Toxicol. 9:105-150.

Andersen, M.E. , Gargas, M.L. , Jones, R.A. , and Jenkins, L.H. JR.. (1980). "Determination of the kinetic constants of metabolism of inhaled toxicant in vivo based on gas uptake measurements." Toxicol. Appl. Pharmacol. 54:100-116.

Andersen, M.E. , Gargas, M.L. , and Ramsey, J.C. (1984a). "Inhalation pharmacokinetics: Evaluating systemic extraction, total in vivo metabolism and the time course of enzyme induction for inhaled styrene in rats based on arterial blood:inhaled air concentration ratios." Toxicol. Appl. Pharmacol. 73:176-187.

Andersen, M.E. , Archer, R.L. , Clewell, H.J. , and Macnaughton, M.G. (1984b). "A physiological model of the intravenous and inhalation pharmacokinetics of three dihalomethanes — CH2Cl2, CH2BrCl, and CH2Br2 — in the rat." (Abstract 443.) Toxicologist 4(1):111.

Andersen, M.E. , Gargas, M.L. , and Clewell, H.J. (1986a). "Suicide inactivation of microsomal oxidation by cis- and trans-dichloroethylene (C-DCE and T-DCE) in male fischer rats in vivo." (Abstract 47.) Toxicologist 6(1):12.

Andersen, M.E. , Clewell, H.J. , Gargas, M.L. , and Conolly, R.B. (1986b). "A physiological pharmacokinetic model for hepatic glutathione (GSH) depletion by inhaled halogenated hydrocarbons." (Abstract 598.) Toxicologist 6(1):148.

Andersen, M.E. , Clewell, H.J. Gargas, M.L. , Smith, F.A. , and Reitz, R.H. (1987a). "Physiologically-based pharmacokinetics and the risk assessment for methylene chloride." Toxicol. Appl. Pharmacol. 87:185-205.

Andersen, M.E. , Gargas, M.L. , Clewell, H.J. , and Severyn, K.M. (1987b). "Quantitative evaluation of the metabolic interactions between trichloroethylene and 1,1-dichloroethylene by gas uptake methods." Toxicol. Appl. Pharmacol. 89:149-157.

Andersen, M.E. , Clewell, H.J. , III, Gargas, M.L. , Macnaughton, M.G. , Reitz, R.H. , Nolan, R. , and McKenna, M. (1991). "Physiologically based pharmacokinetic modeling with dichloromethane, its metabolite carbon monoxide, and blood carboxyhemoglobin in rats and humans." Toxicol. Appl. Pharmacol. 108:14-27.

Andersen, M.E. , Mills, J.J. , Gargas, M.L. , Kedderis, L. , Birnbaum, L.S. , Norbert, D. , and Greenlee, W.F. (1993). "Modeling receptor-mediated processes with dioxin: Implications for pharmacokinetics and risk assessment." Risk Anal. 13(1):25-36.

Bischoff, K.B. (1987)."Physiologically based pharmacokinetic modeling. National Research Council." In: Pharmacokinetics in Risk Assessment. Drinking Water and Health. Volume 8, pp. 36-61. National Academy Press, Washington, DC.

Bischoff, K.B. and Brown, R.G. (1966). "Drug distribution in mammals." Chem. Eng. Prog. Symp. Ser. 62(66):33-45.

Bungay, P.M. , Dedrick, R.L. , and Matthews, H.B. (1981). "Enteric transport of chlordecone (Kepone ) in the rat." J. Pharmacokinet. Biopharm. 9:309-341.

Clewell, H.J. (1993). "Coupling of computer modeling with in vitro methodologies to reduce animal usage in toxicity testing." Toxicol. Lett . 68:101-117.

Clewell, H.J. and Andersen, M.E. (1986). "A multiple dose-route physiological pharmacokinetic model for volatile chemicals using ACSL/PC." In: Languages for Continuous System Simulation (F.D. Cellier, ed.). Society for Computer Simulation, San Diego, CA. pp. 95-101.

Clewell, H.J. and Anderson, M.E. (1987). "Dose, species and route extrapolation using physiologically based pharmacokinetic models." In: Pharmacokinetics in Risk Assessment. Drinking Water and Health. Volume 8, National Academy Press, Washington, D.C. pp. 159-182.

Clewell, H.J. and Andersen, M.E. (1989). "Improving toxicology testing protocols using computer simulations." Toxicol. Lett. 49:139-158.

Conolly, R.B. and Andersen, M.E. (1991). "Biologically based pharmacodynamic models: Tools for toxicological research and risk assessment." Comments Toxicol. 4:269-293.

Corley, R.A. , Mendrala, A.L. , Smith, F.A. , Staats, D.A. , Gargas, M.L. , Conolly, R.B. , Andersen, M.E. , and Reitz, R.H. (1990). "Development of a physiologically based pharmacokinetic model for chloroform." Toxicol. Appl. Pharmacol. 103:512-527.

D'Souza, R.W. , Francis, W.R. , and Andersen, M.E. (1988). "Physiological model for tissue glutathione depletion and increased resynthesis after ethylene dichloride exposure." J. Pharmacol. Exper. Ther. 245:563-568.

Dedrick, R.L. (1973). "Animal scale-up." J. Pharmacokinet. Biopharm. 1:435-461.

Dedrick, R.L. and Bischoff, K.B. (1980). "Species similarities in pharmacokinetics." Fed. Proc. 39:54-59.

Filser, J.G. and Bolt, H.M. (1979). "Pharmacokinetics of halogenated ethylenes in rats." Arch. Toxicol. 42:123-136.

Fisher, J.W. , Whittaker, T.A. , Taylor, D.H. , Clewell, H.J. , and Andersen, M.E. (1989). "Physiologically based pharmacokinetic modeling of the pregnant rat: A multiroute exposure model for trichlorethylene and its metabolite, trichloroacetic acid." Toxicol. Appl. Pharmacol . 99:395-414.

Fisher, J.W. , Whittaker, T.A. , Taylor, D.H. , Clewell, H.J. , and Andersen, M.E. (1990). "Physiologically based pharmacokinetic modeling of the lactating rat and nursing pup: A multiroute exposure model for trichlorethylene and its metabolite, trichloroacetic acid." Toxicol. Appl. Pharmacol. 102:497-513.

Gargas, M.L. (1990). "An exhaled breath chamber system for assessing rates of metabolism and rates of gastrointestinal absorption with volatile chemicals." J. Am. Coll. Toxicol. 9:447-453.

Gargas, M.L. and Andersen, M.E. (1982). "Metabolism of inhaled brominated hydrocarbons: validation of gas uptake results by determination of a stable metabolite." Toxicol. Appl. Pharmacol. 66:55-68.

Gargas, M.L. and Andersen, M.E. (1989). "Determining kinetic constants of chlorinated ethane metabolism in the rat from rates of exhalation." Toxicol. Appl. Pharmacol. 97:230-246.

Gargas, M.L. , Andersen, M.E. , and Clewell, H.J. (1986a). "A physiologically-based simulation approach for determining metabolic constants from gas uptake data." Toxicol. Appl. Pharmacol. 86:341-352.

Gargas, M.L. , Clewell, H.J. , and Andersen, M.E. (1986b). "Metabolism of inhaled dihalomethanes in vivo: Differentiation of kinetic constants for two independent pathways." Toxicol. Appl. Pharmacol. 82:211-223.

Gearhart, J.M. , Jepson, G.W. , Clewell, H.J. , Andersen, M.E. , and Conolly, R.B. (1990). "Physiologically based pharmacokinetic and pharmacodynamic model for the inhibition of acetylcholinesterase by diisopropylfluorophosphate." Toxicol. Appl. Pharmacol. 106:295-310.

Gerlowski, L.E. and Jain, R.K. (1983). "Physiologically based pharmacokinetic modeling: Principles and applications." J. Pharm. Sci. 72:1103-1126.

Himmelstein, K.J. and Lutz, R.J. (1979). "A review of the application of physiologically based pharmacokinetic modeling." J. Pharmacokinet. Biopharm . 7:127-145.

King, F.G. , Dedrick, R.L. , Collins, J.M. , Matthews, H.B. , and Birnbaum, L.S. (1983). "Physiological model for the pharmacokinetics of 2,3,7,8-tetrachlorodibenzofuran in several species." Toxicol. Appl. Pharmacol. 67:390-400.

Leung, H.W. (1991). "Development and utilization of physiologically based pharmacokinetic models for toxicological applications." J. Toxicol. Environ. Health 32:247-267.

Leung, H.W. , Ku, R.H. , Paustenbach, D.J. , and Andersen, M.E. (1988). "A physiologically-based pharmacokinetic model for 2,3,7,8-tetrachlorodibenzo-p-dioxin in C57BL/6J and DBA/2J mice." Toxicol. Lett. 42:15-28.

Lutz, R.J. , Dedrick, R.L. , Tuey, D. , Sipes, I.G. , Anderson, M.W. , and Matthews, H.B. (1984). "Comparison of the pharmacokinetics of several polychlorinated biphenyls in mouse, rat, dog, and monkey by means of a physiological pharmacokinetic model." Drug Metab. Disp. 12:5:527-535.

Mc Dougal, J.N. , Jepson, G.W. , Clewell, H.J. , Macnaughton, M.G. , and Andersen, M.E. (1986). "A physiological pharmacokinetic model for dermal absorption of vapors in the rat." Toxicol. Appl. Pharmacol . 85:286-294.

Monro, A. (1992). "What is an appropriate measure of exposure when testing drugs for carcinogenicity in rodents?" Toxicol. Appl. Pharmacol. 112:171-181.

O'Flaherty, E.J. (1987). "Modeling: an introduction. National Research Council." In: Pharmacokinetics in Risk Assessment. Drinking Water and Health, Volume 8. National Academy Press, Washington, DC. pp. 27-35.

Paustenbach, D.J. , Clewell, H.J. , Gargas, M.L. , and Andersen, M.E. (1988). "A physiologically-based pharmacokinetic model for inhaled carbon tetrachloride." Toxicol. Appl. Pharmacol . 96:191-211.

Ramsey, J.C. and Andersen, M.E. (1984). "A physiological model for the inhalation pharmacokinetics of inhaled styrene monomer in rats and humans." Toxicol. Appl. Pharmacol. 73:159-175.

Ramsey, J.C. and Young, J.D. (1978). "Pharmacokinetics of inhaled styrene in rats and humans." Scand. J. Work Environ. Health 4:84-91.

Ramsey, J.C. , Young, J.D. , Karbowski, R. , Chenoweth, M.B, Mc Carty, L.P. , and Braun, W.H. (1980). "Pharmacokinetics of inhaled styrene in human volunteers." Toxicol. Appl. Pharmacol . 53:54-63.

Reitz, R.H. , Mendrala, A.L. , and Guengerich, F.P. (1989). "In vitro metabolism of methylene chloride in human and animal tissues: Use in physiologically-based pharmacokinetic models." Toxicol. Appl Pharmacol. 97:230-246.

Sato, A. and Nakajima, T. (1979a). "Partition coefficients of some aromatic hydrocarbons and ketones in water, blood and oil." Br. J. Ind. Med. 36:231-234.

Sato, A. and Nakajima, T. (1979b). "A vial equilibration method to evaluate the drug metabolizing enzyme activity for volatile hydrocarbons." Toxicol. Appl. Pharmacol. 47:41-46.

Stewart, R.D. , Dodd, H.C. , Baretta, E.D. , and Schaffer, A.W. (1968). "Human exposure to styrene vapors." Arch. Env. Health. 16:656-662.

Teorell, T. (1937a). "Kinetics of distribution of substances administered to the body. I. The extravascular mode of administration." Arch. Int. Pharmacodyn. 57:205-225.

Teorell, T. (1937b). "Kinetics of distribution of substances administered to the body. I. The intravascular mode of administration." Arch. Int. Pharmacodyn. 57:226-240.

Tuey, D.B. and Matthews, H.B. (1980). "Distribution and excretion of 2,2',4,4',5,5'-hexabromobiphenyl in rats and man: Pharmacokinetic model predictions." Toxicol. Appl. Pharmacol. 53:420-431.

Vinegar, A. , Seckel, C.S. , Pollard, D.L. , Kinkead, E.R. , Conolly, R.B. , and Andersen, M.E. (1992). "Polychlorotrifluoroethylene (PCTFE) oligomer pharmacokinetics in Fischer 344 rats: Development of a physiologically based model." Fundam. Appl. Toxicol. 18:504-514.

Watanabe P. , Mc Gown, G. , and Gehring, P. (1976). "Fate of [14] vinyl chloride after single oral administration in rats." Toxicol Appl Pharmacol 36:339-352.