References
A. C. Andersen. The beagle as an experimental dog. Iowa State University Press. University of Michigan. 616 pages. 1970.
N. Balakrishnan (Editor). Methods and Applications of Statistics in Clinical Trials, Volume 2: Planning, Analysis, and Inferential MethodsArticle Title. John Wiley and Sons. . 2014.
L. Baxter, H. Zhu, D. Mackensen, and R. Jain. Physiologically based pharmacokinetic model for specific and nonspecific monoclonal antibodies and fragments in normal tissues and human tumor xenografts in nude mice. Cancer Research. 54. 1517-28. 1994.
L.Z. Benet. Basic Principles and Its Use as a Tool in Drug Metabolism. in: Drug Metabolism and Drug Toxicity. J.R. Mitchell. M.G. Horning. Raven Press. New York, USA. pp. 199. 1984.
L.M. Berezhkovskiy. Volume of distribution at steady state for a linear pharmacokinetic system with peripheral elimination. Journal of Pharmaceutical Sciences. 93(6). 1628-40. 2004.
A. C. Hindmarsh, P. N. Brown, K. E. Grant, S. L. Lee, R. Serban, D. E. Shumaker, and C. S. Woodward. SUNDIALS: Suite of Nonlinear and Differential/Algebraic Equation Solvers. ACM Transactions on Mathematical Software, 31(3), pp. 363-396, 2005.
P. Costa and J. M. Sousa Lobo. Modeling and comparison of dissolution profiles. Eur J Pharm Sci. 13(2). 123-33. 2001.
C. Crone and D.G. Levitt. Capillary permeability to small solutes. in Handbook of Physiology: The Cardiovascular System: Microcirculation. E.M. Renkin. C.C. Michel. American Physiological Society. Bethesda, MD, USA. pp. 411–466. 1984.
C. Dordas and P. H. Brown. Permeability of Boric Acids across Lipid Bilayers and Factors Affecting it. Journal of Membrane Biology. 175. 95-105. 2000.
J.B. Dressman, K. Thelen, and E. Jantratid. Towards Quantitative Prediction of Oral Drug Absorption. Clinical Pharmacokinetics. 47(10). 655-67. 2008.
A. N. Edginton, S. Willmann, B. Voith, and W. Schmitt. A mechanistic approach to the scaling of clearance in children. Clinical Pharmacokinetics. 45. 683-704. 2006.
A. N. Edginton, W. Schmitt, and S. Willmann. Application of physiology-based pharmacokinetic and pharmacodynamic modeling towards individualized propofol target controlled infusion. Advances in Therapy. 23. 143-158. 2006.
A. N. Edginton, W. Schmitt, and S. Willmann. Development and evaluation of a generic physiologically based pharmacokinetic model for children. Clinical Pharmacokinetics. 45. 1013-1034. 2006.
A. N. Edginton, F.P. Theil, W. Schmitt, and S. Willmann. Whole body physiologically-based pharmacokinetic models: their use in clinical drug development. Expert Opinion on Drug Metabolism & Toxicology. 4(9). 1143-52. 2008.
A.N. Edginton, G. Ahr, S. Willmann, and H. Stass. Defining the Role of Macrophages in Local Moxifloxacin Tissue Concentrations using Biopsy Data and Whole-Body Physiologically Based Pharmacokinetic Modelling. Clinical Pharmacokinetics. 48(3). 181-7. 2009.
A. N. Edginton and G. Joshi. Have physiologically-based pharmacokinetic models delivered?. Expert Opin Drug Metab Toxicol. 929-34. 7(8). 2011.
A. N. Edginton and S. Willmann. Physiology-based simulations of a pathological condition : prediction of pharmacokinetics in patients with liver cirrhosis. Clinical Pharmacokinetics. 47(11). 743-52. 2008.
T. Eissing, L. Kuepfer, C. Becker, M. Block, K. Coboeken, T. Gaub, L. Goerlitz, J. Jaeger, R. Loosen, B. Ludewig, M. Meyer, C. Niederalt, M. Sevestre, H. U. Siegmund, J. Solodenko, K. Thelen, U. Telle, W. Weiss, T. Wendl, S. Willmann, and J. Lippert. A computational systems biology software platform for multiscale modeling and simulation: integrating whole-body physiology, disease biology, and molecular reaction networks. Front Physiol. 4. 2. 2011.
T. Eissing, J. Lippert, and S. Willmann. Pharmacogenomics of Codeine, Morphine, and Morphine-6-Glucuronide: Model-Based Analysis of the Influence of CYP2D6 Activity, UGT2B7 Activity, Renal Impairment, and CYP3A4 Inhibition. Mol Diagn Ther. 43-53. 16(1). 2012.
C.T. Ekstrom (Editor). Introduction to Statistical Data Analysis for the Life Sciences, Second Edition. CRC Press. . 2014.
B. I. Escher and R. P. Schwarzenbach. Partitioning of Substituted Phenols in Liposome-Water, Biomembrane-Water, and Octanol-Water Systems. Environmental Science and Technology. 30. 260-270. 1996.
P. Espie, D. Tytgat, M. L. Sargentini-Maier, I. Poggesi, and J. B. Watelet. Physiologically based pharmacokinetics (PBPK). Drug Metab Rev. 41. 391-407. 2009.
L. Fahrmeir, T. Kneib, and S. Lang. Regression Modelle, Methoden und ihre Anwendung. Springer Verlag. . 2009.
F. Frezard and A. Garnier-Suillerot. Permeability of Lipid Bilayer to Anthracycline Derivates. Role of the Bylayer Composition and of the Temperature. Biochimica et Biophysica Acta. 1389. 13-22. 1998.
E. Galia, E. Nicolaides, D. Härter, R. Läbenberg, C. Reppas, and J. B. Dressman. Evaluation of various dissolution media for predicting in vivo performance of class I and II drugs. Pharmaceutical Research. 15. 698-705. 1998.
A. Garg and J. Balthasar. Physiologically-based pharmacokinetic (PBPK) model to predict IgG tissue kinetics in wild-type and FcRn-knockout mice. Journal of Pharmacokinetics and Pharmacodynamics.. 34. 687-709. 2007.
Henri P. Gavin. The Levenberg-Marquardt method for nonlinear least squares curve-fitting problems. http://www.people.duke.edu/%7Ehpgavin/ http://www.people.duke.edu/~hpgavin/ce281/lm.pdf. . . 2016.
X. Ge, S. Yamamoto, S. Tsutsumi, Y. Midorikawa, S. Ihara, S. M. Wang, and H. Aburatani. Interpreting expression profiles of cancers by genome- wide survey of breadth of expression in normal tissues. Genomics.. 86(2). 127-41. 2005.
R. Gebhardt. Metabolic zonation of the liver: Regulation and implications for liver function. Pharmacol. Ther.. 53(3). 275-354. 1992.
J. A. Goldsmith, N. Randall, and S. D. Ross. On methods of expressing dissolution rate data.. J Pharm Pharmacol.. 30(6). 347-9. 1978.
H. W. Haagard. The Absorption, Distribution and Elimination of Ethyl Ether. The Journal of Biological Chemistry. 59. 753-770. 1924.
M. W. Härter, J. Keldenich, and W. Schmitt. in Handbook of Combinatorial Chemistry. Vol. 2. K. C. Nicholaou. R. Hanko. W. Hartwig. Wiley-VCH. Weinheim, Germany. 2002.
W. L. Hayton. Maturation and Growth of Renal Function: Dosing Renally Cleared Drugs in Children. AAPS PharmSci. 2(1). E3. 2002.
P. Holliger and P. J. Hudson. Engineered antibody fragments and the rise of single domains. Nat Biotechnol.. 23(9). 1126-36. 2005.
H. G. Holzhutter, D. Drasdo, T. Preusser, J. Lippert, and A. M. Henney. The virtual liver: a multidisciplinary, multilevel challenge for systems biology. Wiley Interdiscip Rev Syst Biol Med. 2012.
R. Kawei, M. Lemaire, J. L. Steimer, A. Bruelisauer, W. Niederberger, and M. Rowland. Physiology Based Pharmacokinetic Study on a Cyclosporin Derivate, SDZ IMM 125. Journal of Pharmacokinetics and Biopharmaceutics. 22. 327-365. 1994.
G. Kersting, S. Willmann, G. Wurthwein, J. Lippert, J. Boos, and G. Hempel. Physiologically based pharmacokinetic modelling of high- and low-dose etoposide: from adults to children. Cancer Chemother Pharmacol. 397-405. 69(2). 2012.
B. Krippendorf, R. Neuhaus, and P. Lienau. Mechanism-Based Inhibition: Deriving KI and kinact Directly from Time-Dependent IC50 Values. J. of Biomolecular Screening. 14((8). 2009.
L. Kuepfer, J. Lippert, and T. Eissing. Multiscale mechanistic modeling in pharmaceutical research and development. Adv Exp Med Biol. 543-61. 736. 2012.
F. Langenbucher. Linearization of dissolution rate curves by the Weibull distribution. J Pharm Pharmacol.. 24(12). 979-81. 1972.
D. G. Levitt. Physiologically based pharmacokinetic modeling of arterial- antecubital vein concentration difference. BMC Clinical Pharmacology. 4. 2. 2004.
E. D. Lobo, R. J. Hansen, and J. P. Balthasar. Antibody Pharmacokinetics and Pharmacodynamics. J. Pharm. Sci.. 93(11). 2645-2668. 2004.
A. Loidl-Stahlhofen, T. Hartmann, M. Schöttner, C. Röhring, H. Brodowsky, J. Schmitt, and J. Keldenich. Multilamellar Liposomes and Solid- Supported Lipid Membranes (TRANSIL): Screening of Lipid-Water Partitioning Toward a High-Throughput Scale. Pharmaceutical Research. 18. 1782-1788. 2001.
G. Loizou, M. Spendiff, H.A. Barton, J. Bessems, F.Y. Bois, M.B. d'Yvoire, H. Buist, H.J. Clewell 3rd, B. Meek, U. Gundert-Remy, G. Goerlitz, and W. Schmitt. Development of good modelling practice for physiologically based pharmacokinetic models for use in risk assessment: the first steps. Regulatory Toxicology and Pharmacology. 50(3). 400-11. 2008.
K. Madsen, H.B. Nielsen, and O. Tingleff. METHODS FOR NON- LINEAR LEAST SQUARES PROBLEMS. http://www2.imm.dtu.dk/ http://www2.imm.dtu.dk/pubdb/views/edoc_download.php/3215/pdf/imm3215.pdf. . . April 2004.
M. Meyer, S. Schneckener, B. Ludewig, L. Kuepfer, and J. Lippert. Using expression data for quantification of active processes in physiologically- based pharmacokinetic modeling. Drug Metab Dispos. 2012.
John A. Nelder and R. Mead. A simplex method for function minimization. Computer Journal. 7. 308-313. 1965.
I. Nestorov. Whole-body physiologically based pharmacokinetic models. Exp Opin Drug Metab Toxicol. 3. 235-249. 2007.
M. Nishimura, H. Yaguti, H. Yoshitsugu, S. Naito, and T. Satoh. Tissue distribution of mRNA expression of human cytochrome P450 isoforms assessed by high-sensitivity real-time reverse transcription PCR. Yakugaku Zasshi.. 123(5). 369-75. 2003.
M. Nishimura and S. Naito. Tissue-specific mRNA expression profiles of human ATP-binding cassette and solute carrier transporter superfamilies. Drug Metab Pharmacokinet. 20(6). 452-77. 2005.
M. Nishimura and S. Naito. Tissue-specific mRNA expression profiles of human phase I metabolizing enzymes except for cytochrome P450 and phase II metabolizing enzymes. Drug Metab Pharmacokinet. 21(5). 357-74. 2006.
P. Poulin, K. Schoenlein, and F.P. Theil. Prediction of adipose tissue: plasma partition coefficients for structurally unrelated drugs. Journal of Pharmaceutical Sciences. 90(4). 436-47. 2001.
P. Poulin and F. P. Theil. 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. 89. 16-35. 2000.
P. Poulin and F.P. Theil. Prediction of pharmacokinetics prior to in vivo studies. 1. Mechanism-based prediction of volume of distribution. Journal of Pharmaceutical Sciences. 91(1). 129-56. 2002.
P. Poulin and F.P. Theil. Prediction of pharmacokinetics prior to in vivo studies. II. Generic physiologically based pharmacokinetic models of drug disposition. Journal of Pharmaceutical Sciences. 91(5). 1358-70. 2002.
NJ. Proctor, GT. Tucker, and A. Rostami-Hodjegan. Predicting drug clearance from recombinantly expressed CYPs: intersystem extrapolation factors.. Xenobiotica. 34(2). 151-78. 2004.
B. Rippe and B. Haraldsson. Fluid and protein fluxes across small and large pores in the microvasculature. Application of two-pore equations. Acta Physiol Scand.. 131(3). pp 411-28. 1987.
B. Rippe and B. Haraldsson. Transport of macromolecules across microvascular walls: the two-pore theory. Am Physiological Soc.. 74. pp 163-219. 1994.
T. Rodgers, D. Leahy, and M. Rowland. Physiologically Based Pharmacokinetic Modeling 1: Predicting the Tissue Distribution of Moderate-to-Strong Bases. Journal of Pharmaceutical Sciences. 94. 1259-1275. 2005.
T. Rodgers, D. Leahy, and M. Rowland. Tissue Distribution of Basic Drugs: Accounting for Enantiomeric, Compound and Regional Differences Amongst beta-Blocking Drugs in Rat. Journal of Pharmaceutical Sciences. 94. 1237-1248. 2005.
T. Rodgers and M. Rowland. Physiologically Based Pharmacokinetic Modeling 2: Predicting the Tissue Distribution of Acids, Very Weak Bases, Neutrals and Zwitterions. Journal of Pharmaceutical Sciences. 95. 1238-1257. 2006.
T. Rodgers and M. Rowland. Mechanistic Approaches to Volume of Distrubtion Predictions: Understanding the Processes. Pharmaceutical Research. 24. 918-933. 2007.
AD. Rodrigues. Integrated cytochrome P450 reaction phenotyping: attempting to bridge the gap between cDNA-expressed cytochromes P450 and native human liver microsomes. Biochem Pharmacol. 465-80. 57 (5). 1999.
A. Rostami-Hodjegan and GT. Tucker. Simulation and prediction of in vivo drug metabolism in human populations from in vitro data.. Nat Rev Drug Discov. 6(2). 140-8. 2007.
M. Rowland and T.N. Tozer. Clinical Pharmacokinetics and Pharmacodynamics: Concepts and Applications. 4th edition. D.B. Troy. Lippincott Williams and Wilkins. Philadelphia, PA 19106. pp. 199. 1984.
T. Sawamato, S. Haruta, Y. Kurosaki, K. Higaki, and T. Kimura. Prediction of the Plasma Concentration Profiles of Orally Administered Drugs in Rats on the Basis of Gastrointestinal Transit Kinetics and Absorbability. Journal of Pharmaceutical Pharmacology. 49. 450-457. 1997.
J. Schlender. A manuscript including the description of the physiology base of the Japanese population implemented in PK-Sim® is in preparation..
W. Schmitt. General approach for the calculation of tissue to plasma partition coefficients. Toxicology In Vitro. 22(2). 457-67. 2008.
W. Schmitt and S. Willmann. Physiology-based pharmacokinetic modeling: ready to be used. Drug Discov Today. 2. 125-132. 2005.
L. F. Shampine and S. Willmann. Solving ODEs and DDEs with residual control. Appl. Num. Math.. 52. 113-127. 2005.
P. Sidhu, H. T. Peng, B. Cheung, and A. Edginton. Simulation of differential drug pharmacokinetics under heat and exercise stress using a physiologically based pharmacokinetic modeling approach. Can J Physiol Pharmacol. 365-82. 89(5). 2011.
R.B. Silvermann. Mechanism-based enzyme imhibitors. Methods in Enzymology. 249. 1995.
A. Strougo, T. Eissing, A. Yassen, S. Willmann, M. Danhof, and J. Freijer. First dose in children: physiological insights into pharmacokinetic scaling approaches and their implications in paediatric drug development. J Pharmacokinet Pharmacodyn. 2012.
G. Tanaka and H. Kawamura. Anatomical and physiological characteristics for Asian reference man: Male and female of different ages: Tanaka model. Division of Radioecology. National Institute of Radiological Sciences. Hitachinaka 311-12 Japan. Report Number NIRS-M-115. 1996.
A. Terenji, S. Willmann, J. Osterholz, P. Hering, and H. J. Schwarzmaier. Measurement of the coagulation dynamics of bovine liver using the modified microscopic Beer-Lambert law. Lasers Surg Med. 365-70. 36(5). 2005.
F. P. Theil, T. W. Guentert, S. Haddad, and P. Poulin. Utility of Physiologically Based Pharmacokinetic Models to Drug Development and Rational Drug Discovery Candidate Selection. Toxicology Letters. 138. 29-49. 2003.
K. Thelen and J.B. Dressman. Cytochrome P450-mediated metabolism in the human gut wall. Journal of Pharmacokinetics and Pharmacodynamics. 61(5). 541-58. 2009.
K. Thelen, E. Jantratid, J. B. Dressman, J. Lippert, and S. Willmann. Analysis of nifedipine absorption from soft gelatin capsules using PBPK modeling and biorelevant dissolution testing. J Pharm Sci. 2899-904. 99(6). 2010.
K. Thelen, K. Coboeken, S. Willmann, R. Burghaus, J. B. Dressman, and J. Lippert. Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, part 1: oral solutions. J Pharm Sci. 5324-45. 100(12). 2011.
K. Thelen, K. Coboeken, S. Willmann, J. B. Dressman, and J. Lippert. Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, part II: extension to describe performance of solid dosage forms. J Pharm Sci. 1267-80. 101(3). 2012.
K. Thelen, K. Coboeken, J. B. Dressman, and S. Willmann. Dynamically simulating the effect of food on gastric emptying using a detailed physiological model for gastrointestinal transit and absorption.. PAGE meeting 2012. Venice, Italy. 2012.
Third National Health and Nutrition Examination Survey, (NHANES III). 1997. National Center for Health Statistics Hyattsville, MD 20782 http://www.cdc.gov/nchs/nhanes.htm
Expressed Sequence Tags (EST) from UniGene. 2010. National Center for Biotechnology Information (NCBI) http://www.ncbi.nlm.nih.gov/unigene
Annals of the ICRP. Basic Anatomical and Physiological Data for Use in Radiological Protection: Reference Values. J. Valentin. Vol. 32 (3-4). 2002.
P. H. van der Graaf and N. Benson. Systems pharmacology: bridging systems biology and pharmacokineticspharmacodynamics (PKPD) in drug discovery and development. Pharm Res. 1460-4. 28(7). 2011.
B. van Ommen, J. de Jongh, J. van de Sandt, B. Blaauboer, E. Hissink, J. Bogaards, and P. Bladeren. Computer-aided Biokinetic Modelling Combined with In Vitro Data. Toxicology In Vitro. 9. 537-542. 1995.
M. Vossen, M. Sevestre, C. Niederalt, I. J. Jang, S. Willmann, and A. N. Edginton. Dynamically simulating the interaction of midazolam and the CYP3A4 inhibitor itraconazole using individual coupled whole-body physiologically-based pharmacokinetic (WB-PBPK) models. Theor Biol Med Model. 13. 4. 2007.
W. Wang, E. Q. Wang, and J.P. Balthasar. Monoclonal Antibody Pharmacokinetics and Pharmacodynamics. Clin Pharmacol Ther.. 548-58. 84(5). 2008.
O. Weber, S. Willmann, H. Bischoff, V. Li, A. Vakalopoulos, K. Lustig, F. T. Hafner, R. Heinig, C. Schmeck, and K. Buehner. Prediction of a potentially effective dose in humans for BAY 60-5521, a potent inhibitor of cholesteryl ester transfer protein (CETP) by allometric species scaling and combined pharmacodynamic and physiologically-based pharmacokinetic modelling. Br J Clin Pharmacol. 219-31. 73(2). 2012.
S. Willmann, H. J. Schwarzmaier, A. Terenji, I. V. Yaroslavsky, and P. Hering. Quantitative microspectrophotometry in turbid media. Appl Opt. 4904-13. 38(22). 1999.
S. Willmann, A. Terenji, H. Busse, I. V. Yaroslavsky, A. N. Yaroslavsky, H. J. Schwarzmaier, and P. Hering. Scattering delay time of Mie scatterers determined from steady-state and time-resolved optical spectroscopy. J Opt Soc Am A Opt Image Sci Vis. 745-9. 17(4). 2000.
S. Willmann, J. Lippert, M. Sevestre, J. Solodenko, F. Fois, and W. Schmitt. PK-Sim®: A physiologically based pharmacokinetic 'whole-body' model. Biosilico. 1. 121-124. 2003.
S. Willmann, W. Schmitt, J. Keldenich, and J. B. Dressman. A Physiologic Model for Simulating Gastrointestinal Flow and Drug Absorption in Rats. Pharmaceutical Research. 20. 1766-1771. 2003.
S. Willmann, A. Terenji, J. Osterholz, J. Meister, P. Hering, and H.J. Schwarzmaier. Small-volume frequency-domain oximetry: phantom experiments and first in vivo results. J Biomed Opt. 618-28. 8(4). 2003.
S. Willmann, W. Schmitt, J. Keldenich, J. Lippert, and J. B. Dressman. A Physiological Model for the Estimation of Fraction Dose Absorbed in Humans. Journal of Medical Chemistry. 47. 4022-4031. 2004.
S. Willmann, J. Lippert, and W. Schmitt. From physicochemistry to absorption and distribution: predictive mechanistic modelling and computational tools. Expert Opinion on Drug Metabolism and Toxicology. 1. 159-168. 2005.
S. Willmann, K. Hoehn, A. N. Edginton, M. Sevestre, J. Solodenko, W. Weiss, J. Lippert, and W. Schmitt. Development of a physiologically-based whole-body population model for assessing the influence of individual variability on the pharmacokinetics of drugs. Journal of Pharmacokinetics and Pharmacodynamics. 34(3). 401-431. 2007.
S. Willmann, A.N. Edginton, and J.B. Dressman. Development and validation of a physiology-based model for the prediction of oral absorption in monkeys. Pharmaceutical Research. 24(7). 1275-82. 2007.
S. Willmann, A.N. Edginton, M. Kleine-Besten, E. Jantratid, K. Thelen, and J.B. Dressman. Whole-Body Physiologically-Based Pharmacokinetic Population Modelling of Oral Drug Administration: Inter-Individual Variability of Cimetidine Absorption. Journal of Pharmacokinetics and Pharmacodynamics. 61. 891-9. 2009.
S. Willmann, A.N. Edginton, K. Coboeken, G. Ahr, and J. Lippert. Risk to the Breast-Fed Neonate From Codeine Treatment to the Mother: A Quantitative Mechanistic Modeling Study. Clinical Pharmacology and Therapeutics. advance online publication. 2009.
S. Willmann. The in silico Child. Can computer simulations replace clinical pharmacokinetic studies?. Original: Das In-silico-Child. Konnen Computer-Simulationen klinisch-pharmakokinetische Studien ersetzen?. Pharm Unserer Zeit. 62-7. 38(1). 2009.
S. Willmann, K. Thelen, C. Becker, J. B. Dressman, and J. Lippert. Mechanism-based prediction of particle size-dependent dissolution and absorption: cilostazol pharmacokinetics in dogs. Eur J Pharm Biopharm. 83-94. 76(1). 2010.
Y. Wu and F. Kesisoglou. Immediate Release Oral Dosage Forms: Formulation Screening in the Pharmaceutical Industry. in: Oral Drug Absorption: Prediction and Assessment. J. J. Dressman. C. Reppas. Informa Healthcare. New York, USA. pp. 323. 2009.
J. Yang, M. Jamei, and K. Rowland Yeo. Theoretical assessment of a new experimental protocol for determining kinetic values describing mechanism (time)-based enzyme inhibition . European Journal in Pharmaceutical Sciences. 31. 2007.
H. Zischka, C. J. Gloeckner, C. Klein, S. Willmann, M. Swiatek-de Lange, and M. Ueffing. Improved mass spectrometric identification of gel- separated hydrophobic membrane proteins after sodium dodecyl sulfate removal by ion-pair extraction. Proteomics. 3776-82. 4(12). 2004.
