Physiologically-based pharmacokinetic models: approaches for enabling personalized medicine
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Noetzli M, Eap CB (2013) Pharmacodynamic, pharmacokinetic and pharmacogenetic aspects of drugs used in the treatment of Alzheimer’s disease. Clin Pharmacokinet 52(4):225–241. doi: 10.1007/s40262-013-0038-9
Schork NJ (2015) Personalized medicine: time for one-person trials. Nature 520(7549):609–611. doi: 10.1038/520609a
Lesko LJ, Schmidt S (2012) Individualization of drug therapy: history, present state, and opportunities for the future. Clin Pharmacol Ther 92(4):458–466. doi: 10.1038/clpt.2012.113
Waldman SA, Terzic A (2011) Patient-centric clinical pharmacology advances the path to personalized medicine. Biomark Med 5(6):697–700. doi: 10.2217/bmm.11.78
Redekop WK, Mladsi D (2013) The faces of personalized medicine: a framework for understanding its meaning and scope. Value Health 16(6 Suppl):S4–9. doi: 10.1016/j.jval.2013.06.005
Rowland M, Peck C, Tucker G (2011) Physiologically-based pharmacokinetics in drug development and regulatory science. Annu Rev Pharmacol Toxicol 51:45–73. doi: 10.1146/annurev-pharmtox-010510-100540
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 5:258. doi: 10.3389/fphar.2014.00258
Jamei M, Turner D, Yang J, Neuhoff S, Polak S, Rostami-Hodjegan A, Tucker G (2009) Population-based mechanistic prediction of oral drug absorption. AAPS J 11(2):225–237. doi: 10.1208/s12248-009-9099-y
Chenel M, Bouzom F, Aarons L, Ogungbenro K (2008) Drug–drug interaction predictions with PBPK models and optimal multiresponse sampling time designs: application to midazolam and a phase I compound. Part 1: comparison of uniresponse and multiresponse designs using PopDes. J Pharmacokinet Pharmacodyn 35(6):635–659. doi: 10.1007/s10928-008-9104-6
Jones HM, Mayawala K, Poulin P (2013) Dose selection based on physiologically based pharmacokinetic (PBPK) approaches. AAPS J 15(2):377–387. doi: 10.1208/s12248-012-9446-2
Wagner C, Zhao P, Pan Y, Hsu V, Grillo J, Huang SM, Sinha V (2015) Application of physiologically based pharmacokinetic (PBPK) modeling to support dose selection: report of an FDA public workshop on PBPK. CPT Pharmacomet Syst Pharmacol 4(4):226–230. doi: 10.1002/psp4.33
Musib L, Choo E, Deng Y, Eppler S, Rooney I, Chan IT, Dresser MJ (2013) Absolute bioavailability and effect of formulation change, food, or elevated pH with rabeprazole on cobimetinib absorption in healthy subjects. Mol Pharm 10(11):4046–4054. doi: 10.1021/mp400383x
Shono Y, Jantratid E, Kesisoglou F, Reppas C, Dressman JB (2010) Forecasting in vivo oral absorption and food effect of micronized and nanosized aprepitant formulations in humans. Eur J Pharm Biopharm 76(1):95–104. doi: 10.1016/j.ejpb.2010.05.009
Pandey P, Hamey R, Bindra DS, Huang Z, Mathias N, Eley T, Crison J, Yan B, Perrone R, Vemavarapu C (2014) From bench to humans: formulation development of a poorly water soluble drug to mitigate food effect. AAPS Pharm Sci Tech 15(2):407–416. doi: 10.1208/s12249-013-0069-4
Olivares-Morales A, Kamiyama Y, Darwich AS, Aarons L, Rostami-Hodjegan A (2015) Analysis of the impact of controlled release formulations on oral drug absorption, gut wall metabolism and relative bioavailability of CYP3A substrates using a physiologically-based pharmacokinetic model. Eur J Pharm Sci 67:32–44. doi: 10.1016/j.ejps.2014.10.018
Willmann S, Thelen K, Lippert J (2012) Integration of dissolution into physiologically-based pharmacokinetic models III: PK-Sim(R). J Pharm Pharmacol 64(7):997–1007. doi: 10.1111/j.2042-7158.2012.01534.x
Kostewicz ES, Aarons L, Bergstrand M, Bolger MB, Galetin A, Hatley O, Jamei M, Lloyd R, Pepin X, Rostami-Hodjegan A, Sjogren E, Tannergren C, Turner DB, Wagner C, Weitschies W, Dressman J (2014) PBPK models for the prediction of in vivo performance of oral dosage forms. Eur J Pharm Sci 57:300–321. doi: 10.1016/j.ejps.2013.09.008
Parrott N, Hainzl D, Scheubel E, Krimmer S, Boetsch C, Guerini E, Martin-Facklam M (2014) Physiologically based absorption modelling to predict the impact of drug properties on pharmacokinetics of bitopertin. AAPS J 16(5):1077–1084. doi: 10.1208/s12248-014-9639-y
Kambayashi A, Blume H, Dressman JB (2014) Predicting the oral pharmacokinetic profiles of multiple-unit (pellet) dosage forms using a modeling and simulation approach coupled with biorelevant dissolution testing: case example diclofenac sodium. Eur J Pharm Biopharm 87(2):236–243. doi: 10.1016/j.ejpb.2014.01.007
Mathias NR, Crison J (2012) The use of modeling tools to drive efficient oral product design. AAPS J 14(3):591–600. doi: 10.1208/s12248-012-9372-3
Kesisoglou F, Wu Y (2008) Understanding the effect of API properties on bioavailability through absorption modeling. AAPS J 10(4):516–525. doi: 10.1208/s12248-008-9061-4
Kambayashi A, Blume H, Dressman J (2013) Understanding the in vivo performance of enteric coated tablets using an in vitro-in silico-in vivo approach: case example diclofenac. Eur J Pharm Biopharm 85:1337–1347. doi: 10.1016/j.ejpb.2013.09.009
Kesisoglou F, Balakrishnan A, Manser K (2015) Utility of PBPK absorption modeling to guide modified release formulation development of gaboxadol, a highly soluble compound with region-dependent absorption. J Pharm Sci 105:722–728. doi: 10.1002/jps.24674
Kesisoglou F, Chung J, van Asperen J, Heimbach T (2016) Physiologically based absorption modeling to impact biopharmaceutics and formulation strategies in drug development-industry case studies. J Pharm Sci. doi: 10.1016/j.xphs.2015.11.034
Shono Y, Jantratid E, Janssen N, Kesisoglou F, Mao Y, Vertzoni M, Reppas C, Dressman JB (2009) Prediction of food effects on the absorption of celecoxib based on biorelevant dissolution testing coupled with physiologically based pharmacokinetic modeling. Eur J Pharm Biopharm 73(1):107–114. doi: 10.1016/j.ejpb.2009.05.009
Shepard T, Scott G, Cole S, Nordmark A, Bouzom F (2015) Physiologically Based Models in Regulatory Submissions: Output From the ABPI/MHRA Forum on Physiologically Based Modeling and Simulation. CPT Pharmacometrics Syst Pharmacol 4 (4):221-225. doi:10.1002/psp4.30
Lionberger RA (2009) Regulatory applications of modelling and simulations at FDA. Paper presented at the physiologically based pharmacokinetic (PBPK) modeling in drug development and evaluation. Alexandria, April 6
Luttringer O, Theil FP, Poulin P, Schmitt-Hoffmann AH, Guentert TW, Lave T (2003) Physiologically based pharmacokinetic (PBPK) modeling of disposition of epiroprim in humans. J Pharm Sci 92(10):1990–2007. doi: 10.1002/jps.10461
Berlin M, Ruff A, Kesisoglou F, Xu W, Wang MH, Dressman JB (2015) Advances and challenges in PBPK modeling—analysis of factors contributing to the oral absorption of atazanavir, a poorly soluble weak base. Eur J Pharm Biopharm 93:267–280. doi: 10.1016/j.ejpb.2015.03.031
Chowdhury MM, Kim DH, Ahn JK (2011) A physiologically based pharmacokinetic model for absorption and distribution of imatinib in human body. Bull Korean Chem Soc 32(11):3967–3972
McNally K, Cotton R, Loizou GD (2011) A workflow for global sensitivity analysis of PBPK models. Front Pharmacol 2:31. doi: 10.3389/fphar.2011.00031
Evans MV, Andersen ME (2000) Sensitivity analysis of a physiological model for 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD): assessing the impact of specific model parameters on sequestration in liver and fat in the rat. Toxicol Sci 54(1):71–80
Gueorguieva I, Nestorov IA, Rowland M (2006) Reducing whole body physiologically based pharmacokinetic models using global sensitivity analysis: diazepam case study. J Pharmacokinet Pharmacodyn 33(1):1–27. doi: 10.1007/s10928-005-0004-8
Hamburg MA, Collins FS (2010) The path to personalized medicine. N Engl J Med 363(4):301–304. doi: 10.1056/NEJMp1006304
Huang SM, Abernethy DR, Wang Y, Zhao P, Zineh I (2013) The utility of modeling and simulation in drug development and regulatory review. J Pharm Sci 102(9):2912–2923. doi: 10.1002/jps.23570
Kang JS, Lee MH (2009) Overview of therapeutic drug monitoring. Korean J Intern Med 24(1):1–10. doi: 10.3904/kjim.2009.24.1.1
Strougo A, Yassen A, Krauwinkel W, Danhof M, Freijer J (2011) A semiphysiological population model for prediction of the pharmacokinetics of drugs under liver and renal disease conditions. Drug Metab Dispos 39(7):1278–1287. doi: 10.1124/dmd.110.037838
Johansson F, Paterson R (2008) Physiologically based in silico models for prediction of oral drug absorption. Drug Absorpt Stud 21:486–509
Nestorov I (2003) Whole body pharmacokinetic models. Clin Pharmacokinet 42(10):883–908. doi: 10.2165/00003088-200342100-00002
Gupta S, Kesarla R, Omri A (2013) Formulation strategies to improve the bioavailability of poorly absorbed drugs with special emphasis on self-emulsifying systems. ISRN Pharm 2013:848043. doi:10.1155/2013/848043
Yang R, Mayeno A, Liao K, Raeardon K, Reisfeld B (2005) Integration of PBPK and reaction network modelling: predictive xenobiotic metabolomics. Altex 6(2):373–379
Teorell T (1937) Kinetics of distribution of substances administered to the body. Arch Int Pharmacodyn Ther 57:205–240
Winkle HN (2007) Evolution of the global regulatory environment: a practical approach to change—implementing quality by design. In: PDA/FDA joint regulatory conference
Kesisoglou F, Mitra A (2015) Application of absorption modeling in rational design of drug product under quality-by-design paradigm. AAPS J 17(5):1224–1236. doi: 10.1208/s12248-015-9781-1
Zhang X, Lionberger RA, Davit BM, Yu LX (2011) Utility of physiologically based absorption modeling in implementing quality by design in drug development. AAPS J 13(1):59–71. doi: 10.1208/s12248-010-9250-9
Jiang W, Kim S, Zhang X, Lionberger RA, Davit BM, Conner DP, Yu LX (2011) The role of predictive biopharmaceutical modeling and simulation in drug development and regulatory evaluation. Int J Pharm 418(2):151–160. doi: 10.1016/j.ijpharm.2011.07.024
Peck CC (2010) Quantitative clinical pharmacology is transforming drug regulation. J Pharmacokinet Pharmacodyn 37(6):617–628. doi: 10.1007/s10928-010-9171-3
Graf JF, Scholz BJ, Zavodszky MI (2012) BioDMET: a physiologically based pharmacokinetic simulation tool for assessing proposed solutions to complex biological problems. J Pharmacokinet Pharmacodyn 39(1):37–54. doi: 10.1007/s10928-011-9229-x
Grass GM, Sinko PJ (2002) Physiologically-based pharmacokinetic simulation modelling. Adv Drug Deliv Rev 54(3):433–451
Khalil F, Laer S (2011) Physiologically based pharmacokinetic modeling: methodology, applications, and limitations with a focus on its role in pediatric drug development. J Biomed Biotechnol 2011:907461. doi: 10.1155/2011/907461
Dressman JB, Thelen K, Willmann S (2011) An update on computational oral absorption simulation. Expert Opin Drug Metab Toxicol 7(11):1345–1364. doi: 10.1517/17425255.2011.617743
Paixao P, Gouveia LF, Morais JA (2012) Prediction of the human oral bioavailability by using in vitro and in silico drug related parameters in a physiologically based absorption model. Int J Pharm 429(1–2):84–98. doi: 10.1016/j.ijpharm.2012.03.019
Zhao P, Zhang L, Grillo JA, Liu Q, Bullock JM, Moon YJ, Song P, Brar SS, Madabushi R, Wu TC, Booth BP, Rahman NA, Reynolds KS, Gil Berglund E, Lesko LJ, Huang SM (2011) Applications of physiologically based pharmacokinetic (PBPK) modeling and simulation during regulatory review. Clin Pharmacol Ther 89(2):259–267. doi: 10.1038/clpt.2010.298
Office of Clinical Pharmacology (OCP) (2015). http://www.fda.gov/AboutFDA/CentersOffices/OfficeofMedicalProductsandTobacco/CDER/ucm106189.htm . Accessed 15 June 2016
Sinha V, Zhao P, Huang SM, Zineh I (2014) Physiologically based pharmacokinetic modeling: from regulatory science to regulatory policy. Clin Pharmacol Ther 95(5):478–480. doi: 10.1038/clpt.2014.46
Zhao P, Rowland M, Huang SM (2012) Best practice in the use of physiologically based pharmacokinetic modeling and simulation to address clinical pharmacology regulatory questions. Clin Pharmacol Ther 92(1):17–20. doi: 10.1038/clpt.2012.68
Jones HM, Chen Y, Gibson C, Heimbach T, Parrott N, Peters SA, Snoeys J, Upreti VV, Zheng M, Hall SD (2015) Physiologically based pharmacokinetic modeling in drug discovery and development: a pharmaceutical industry perspective. Clin Pharmacol Ther 97(3):247–262. doi: 10.1002/cpt.37
Dickschen K, Willmann S, Thelen K, Lippert J, Hempel G, Eissing T (2012) Physiologically-based pharmacokinetic modeling of tamoxifen and its metabolites in women of different CYP2D6 phenotypes provides new insight into the tamoxifen mass balance. Front Pharmacol 3:92
Almukainzi M, Jamali F, Aghazadeh-Habashi A, Löbenberg R (2016) Disease specific modeling: simulation of the pharmacokinetics of meloxicam and ibuprofen in disease state versus healthy conditions. Eur J Pharm Biopharm 100:77–84. doi: 10.1016/j.ejpb.2015.12.004
Carrasco-Portugal MDC, Flores-Murrieta FJ (2011) Gender differences in the pharmacokinetics of oral drugs. Pharmacol Pharm 02(01):31–41. doi: 10.4236/pp.2011.21004
Khalil F, Laer S (2014) Physiologically based pharmacokinetic models in the prediction of oral drug exposure over the entire pediatric age range-sotalol as a model drug. AAPS J 16(2):226–239. doi: 10.1208/s12248-013-9555-6
Wening K, Breitkreutz J (2011) Oral drug delivery in personalized medicine: unmet needs and novel approaches. Int J Pharm 404(1–2):1–9. doi: 10.1016/j.ijpharm.2010.11.001
Abbiati RA, Manca D (2016) A modeling tool for the personalization of pharmacokinetic predictions. Comput Chem Eng 91:28–37. doi: 10.1016/j.compchemeng.2016.03.008
Androulakis IP (2015) Systems engineering meets quantitative systems pharmacology: from low-level targets to engaging the host defenses. Rev Syst Biol Med 7(3):101–112. doi: 10.1002/wsbm.1294
Tucker G, DeSilva B, Dressman J, Ito M, Kumamoto T, Mager D, Mahler HC, Maitland-van der Zee AH, Pauletti GM, Sasaki H, Shah V, Tang D, Ward M (2016) Current challenges and potential opportunities for the pharmaceutical sciences to make global impact: an FIP perspective. J Pharm Sci. doi: 10.1016/j.xphs.2015.12.001
Price PS, Conolly RB, Chaisson CF, Gross EA, Young JS, Mathis ET, Tedder DR (2010) Modeling interindividual variation in physiological factors used in PBPK models of humans. Crit Rev Toxicol 33(5):469–503. doi: 10.1080/10408440390242324
Jamei M (2016) Recent advances in development and application of physiologically-based pharmacokinetic (PBPK) models: a transition from academic curiosity to regulatory acceptance. Curr Pharmacol Rep 1(3):161–169
Barton HA, Chiu WA, Setzer RW, Andersen ME, Bailer AJ, Bois FY, Dewoskin RS, Hays S, Johanson G, Jones N, Loizou G, Macphail RC, Portier CJ, Spendiff M, Tan YM (2007) Characterizing uncertainty and variability in physiologically based pharmacokinetic models: state of the science and needs for research and implementation. Toxicol Sci 99(2):395–402. doi: 10.1093/toxsci/kfm100
Franconi F, Brunelleschi S, Steardo L, Cuomo V (2007) Gender differences in drug responses. Pharmacol Res 55(2):81–95. doi: 10.1016/j.phrs.2006.11.001
Fletcher CV, Acosta EP, Strykowski JM (1994) Gender differences in human pharmacokinetics and pharmacodynamics. J Adolesc Health 15:619–629
Whitley H, Lindsey W (2009) Sex-based differences in drug activity. Am Fam Physician 80(11):1254–1258
Damoiseaux VA, Proost JH, Jiawan VC, Melgert BN (2014) Sex differences in the pharmacokinetics of antidepressants: influence of female sex hormones and oral contraceptives. Clin Pharmacokinet 53(6):509–519. doi: 10.1007/s40262-014-0145-2
Regitz-Zagrosek V (2012) Sex and gender differences in pharmacology. Handbook of experimental pharmacology. Springer, Heidelberg
Chen ML, Lee SC, Ng MJ, Schuirmann DJ, Lesko LJ, Williams RL (2000) Pharmacokinetic analysis of bioequivalence trials: implications for sex-related issues in clinical pharmacology and biopharmaceutics. Clin Pharmacol Ther 68(5):510–521. doi: 10.1067/mcp.2000.111184
Greenblatt DJ, Harmatz JS, Roth T, Singh NN, Moline ML, Harris SC, Kapil RP (2013) Comparison of pharmacokinetic profiles of zolpidem buffered sublingual tablet and zolpidem oral immediate-release tablet: results from a single-center, single-dose, randomized, open-label crossover study in healthy adults. Clin Ther 35(5):604–611. doi: 10.1016/j.clinthera.2013.03.007
Xu H, Gan J, Liu X, Wu R, Jin Y, Li M, Yuan B (2013) Gender-dependent pharmacokinetics of lignans in rats after single and multiple oral administration of Schisandra chinensis extract. J Ethnopharmacol 147(1):224–231. doi: 10.1016/j.jep.2013.03.008
Hu L, Jin Y, Li YG, Borel A (2015) Population pharmacokinetic/pharmacodynamic assessment of pharmacological effect of a selective estrogen receptor β agonist on total testosterone in healthy men. Clin Pharmacol Drug Dev 4(4):305–314. doi: 10.1002/cpdd.184
Freire AC, Basit AW, Choudhary R, Piong CW, Merchant HA (2011) Does sex matter? The influence of gender on gastrointestinal physiology and drug delivery. Int J Pharm 415(1–2):15–28. doi: 10.1016/j.ijpharm.2011.04.069
Marazziti D, Baroni S, Picchetti M, Piccinni A, Carlini M, Vatteroni E, Falaschi V, Lombardi A, Dell’Osso L (2013) Pharmacokinetics and pharmacodynamics of psychotropic drugs: effect of sex. CNS Spectr 18(3):118–127. doi: 10.1017/S1092852912001010
Soldin OP, Chung SH, Mattison DR (2011) Sex differences in drug disposition. J Biomed Biotechnol 2011:187103. doi: 10.1155/2011/187103
Kashuba AD, Nafziger AN (1998) Physiological changes during the menstrual cycle and their effect on the pharmacokinetics and pharmacodynamics of drugs. Clin Pharmacokinet 34(3):203–218
Sheth AN, Lahiri CD, Ofotokun I (2015) Sex differences in metabolism and pharmacokinetics. In: Klein SL, Roberts CW (eds) Sex and gender differences in infection and treatments for infectious diseases. Springer, New York
Anderson GD (2008) Gender differences in pharmacological response. Int Rev Neurobiol 83:1–10. doi: 10.1016/s0074-7742(08)00001-9
Waxman DJ, Holloway MG (2009) Sex differences in the expression of hepatic drug metabolizing enzymes. Mol Pharmacol 76(2):215–228. doi: 10.1124/mol.109.056705
Cummins CL, Wu CY, Benet LZ (2002) Sex-related differences in the clearance of cytochrome P450 3A4 substrates may be caused by P-glycoprotein. Clin Pharmacol Ther 72(5):474–489. doi: 10.1067/mcp.2002.128388
Anderson GD (2005) Sex and racial differences in pharmacological response: where is the evidence? Pharmacogenetics, pharmacokinetics, and pharmacodynamics. J Women’s Health 14:19–29
Benet LZ, Cummins CL, Wu CY (2004) Unmasking the dynamic interplay between efflux transporters and metabolic enzymes. Int J Pharm 277(1–2):3–9. doi: 10.1016/j.ijpharm.2002.12.002
Ibarra M, Vazquez M, Fagiolino P, Derendorf H (2013) Sex related differences on valproic acid pharmacokinetics after oral single dose. J Pharmacokinet Pharmacodyn 40(4):479–486. doi: 10.1007/s10928-013-9323-3
Worley RR, Fisher J (2015) Application of physiologically-based pharmacokinetic modeling to explore the role of kidney transporters in renal reabsorption of perfluorooctanoic acid in the rat. Toxicol Appl Pharmacol 289(3):428–441. doi: 10.1016/j.taap.2015.10.017
Heikkinen AT, Baneyx G, Caruso A, Parrott N (2012) Application of PBPK modeling to predict human intestinal metabolism of CYP3A substrates—an evaluation and case study using GastroPlus. Eur J Pharm Sci 47(2):375–386. doi: 10.1016/j.ejps.2012.06.013
Mangoni AA, Jackson SH (2004) Age-related changes in pharmacokinetics and pharmacodynamics: basic principles and practical applications. Br J Clin Pharmacol 57(1):6–14
Ingrande J, Lemmens HJ (2010) Dose adjustment of anaesthetics in the morbidly obese. Br J Anaesth 105(Suppl 1):i16–i23. doi: 10.1093/bja/aeq312
Feng B, LaPerle JL, Chang G, Varma MV (2010) Renal clearance in drug discovery and development: molecular descriptors, drug transporters and disease state. Expert Opin Drug Metab Toxicol 6(8):939–952. doi: 10.1517/17425255.2010.482930
Koren G, Nordeng H, MacLeod S (2013) Gender differences in drug bioequivalence: time to rethink practices. Clin Pharmacol Ther 93(3):260–262. doi: 10.1038/clpt.2012.233
Ibarra M, Magallanes L, Lorier M, Vazquez M, Fagiolino P (2016) Sex-by-formulation interaction assessed through a bioequivalence study of efavirenz tablets. Eur J Pharm Sci 85:106–111. doi: 10.1016/j.ejps.2016.02.001
Frost CE, Song Y, Shenker A, Wang J, Barrett YC, Schuster A, Harris SI, LaCreta F (2015) Effects of age and sex on the single-dose pharmacokinetics and pharmacodynamics of apixaban. Clin Pharmacokinet 54(6):651–662. doi: 10.1007/s40262-014-0228-0
Schwartz JB (2007) The current state of knowledge on age, sex, and their interactions on clinical pharmacology. Clin Pharmacol Ther 82(1):87–96. doi: 10.1038/sj.clpt.6100226
Italiano D, Perucca E (2013) Clinical pharmacokinetics of new-generation antiepileptic drugs at the extremes of age: an update. Clin Pharmacokinet 52(8):627–645. doi: 10.1007/s40262-013-0067-4
Reeve E, Wiese MD, Mangoni AA (2015) Alterations in drug disposition in older adults. Expert Opin Drug Metab Toxicol 11(4):491–508. doi: 10.1517/17425255.2015.1004310
Maharaj AR, Barrett JS, Edginton AN (2013) A workflow example of PBPK modeling to support pediatric research and development: case study with lorazepam. AAPS J 15(2):455–464. doi: 10.1208/s12248-013-9451-0
Barrett JS, Della Casa Alberighi O, Laer S, Meibohm B (2012) Physiologically based pharmacokinetic (PBPK) modeling in children. Clin Pharmacol Ther 92(1):40–49. doi: 10.1038/clpt.2012.64
Yoon M, Clewell HJ (2016) Addressing early life sensitivity using physiologically based pharmacokinetic modeling and in vitro to in vivo extrapolation. Toxicol Res 32(1):15–20. doi: 10.5487/TR.2016.32.1.015
Yang F, Tong X, McCarver DG, Hines RN, Beard DA (2006) Population-based analysis of methadone distribution and metabolism using an age-dependent physiologically based pharmacokinetic model. J Pharmacokinet Pharmacodyn 33(4):485–518. doi: 10.1007/s10928-006-9018-0
Huang SM (2012) Advisory committee for pharmaceutical science and clinical pharmacology meeting. National Harbor, March 12
Villiger A, Stillhart C, Parrott N, Kuentz M (2016) Using physiologically based pharmacokinetic (PBPK) modeling to gain insights into the effect of physiological factors on oral absorption in pediatric populations. AAPS J 18(4):933–947
Cotreau M, von Moltke L, Greenblatt D (2005) The influence of age and sex on the clearance of cytochrome P450 3A substrates. Clin Pharmacokinet 44:33–60
Johnson TN, Zhou D, Bui KH (2014) Development of physiologically based pharmacokinetic model to evaluate the relative systemic exposure to quetiapine after administration of IR and XR formulations to adults, children and adolescents. Biopharm Drug Dispos 35(6):341–352. doi: 10.1002/bdd.1899
Nicolas JM, Espie P, Molimard M (2009) Gender and interindividual variability in pharmacokinetics. Drug Metab Rev 41(3):408–421. doi: 10.1080/10837450902891485
Morrissey KM, Stocker SL, Wittwer MB, Xu L, Giacomini KM (2013) Renal transporters in drug development. Annu Rev Pharmacol Toxicol 53:503–529. doi: 10.1146/annurev-pharmtox-011112-140317
Kubitza D, Becka M, Roth A, Mueck W (2013) The influence of age and gender on the pharmacokinetics and pharmacodynamics of rivaroxaban—an oral, direct factor Xa inhibitor. J Clin Pharmacol 53(3):249–255. doi: 10.1002/jcph.5
Zhao W, Zhang D, Storme T, Baruchel A, Decleves X, Jacqz-Aigrain E (2015) Population pharmacokinetics and dosing optimization of teicoplanin in children with malignant haematological disease. Br J Clin Pharmacol 80(5):1197–1207. doi: 10.1111/bcp.12710
Grillo JA, Zhao P, Bullock JM, Booth BP, Lu M, Robie-Suh K, Berglund EG, Pang KS, Rahman A, Zhang L, Lesko LJ, Huang SM (2012) Utility of a physiologically-based pharmacokinetic (PBPK) modeling appraoch to quantitatively predict a complex drug-drug-disease interaction scenario for rivaroxaban during the drug review process: implications for clinical practice. Biopharm Drug Dispos 33:99–110. doi: 10.1038/10.1002/bdd
Thompson CM, Johns DO, Sonawane B, Barton HA, Hattis D, Tardif R, Krishnan K (2009) Database for physiologically based pharmacokinetic (PBPK) modeling: physiological data for healthy and health-impaired elderly. J Toxicol Environ Health B 12(1):1–24. doi: 10.1080/10937400802545060
Peterson JK, Houghton PJ (2004) Integrating pharmacology and in vivo cancer models in preclinical and clinical drug development. Eur J Cancer 40(6):837–844. doi: 10.1016/j.ejca.2004.01.003
Vizirianakis IS, Mystridis GA, Avgoustakis K, Fatouros DG, Spanakis M (2016) Enabling personalized cancer medicine decisions: the challenging pharmacological approach of PBPK models for nanomedicine and pharmacogenomics (review). Oncol Rep 35(4):1891–1904. doi: 10.3892/or.2016.4575
Barbolosi D, Ciccolini J, Lacarelle B, Barlesi F, Andre N (2016) Computational oncology—mathematical modelling of drug regimens for precision medicine. Nat Rev Clin Oncol 13(4):242–254. doi: 10.1038/nrclinonc.2015.204
Cheeti S, Budha NR, Rajan S, Dresser MJ, Jin JY (2013) A physiologically based pharmacokinetic (PBPK) approach to evaluate pharmacokinetics in patients with cancer. Biopharm Drug Dispos 34(3):141–154. doi: 10.1002/bdd.1830
Machavaram KK, Almond LM, Rostami-Hodjegan A, Gardner I, Jamei M, Tay S, Wong S, Joshi A, Kenny JR (2013) A physiologically based pharmacokinetic modeling approach to predict disease-drug interactions: suppression of CYP3A by IL-6. Clin Pharmacol Ther 94(2):260–268. doi: 10.1038/clpt.2013.79
Pai MP (2010) Estimating the glomerular filtration rate in obese adult patients for drug dosing. Adv Chronic Kidney Dis 17(5):e53–62. doi: 10.1053/j.ackd.2010.05.010
Levitt DG, Schnider TW (2005) Human physiologically based pharmacokinetic model for propofol. BMC Anesthesiol 5(1):4. doi: 10.1186/1471-2253-5-4
Jamei M, Marciniak S, Feng K, Barnett A, Tucker G, Rostami-Hodjegan A (2009) The simcyp(R) population-based ADME simulator. Expert Opin Drug Metab Toxicol 5(2):211–223
Ghobadi C, Johnson TN, Aarabi M, Almond LM, Allabi AC, Rowland-Yeo K, Jamei M, Rostami-Hodjegan A (2011) Application of a systems approach to the bottom-up assessment of pharmacokinetics in obese patients: expected variations in clearance. Clin Pharmacokinet 50(12):809–822. doi: 10.2165/11594420-000000000-00000
Wellen KE, Hotamisligil GS (2003) Obesity-induced inflammatory changes in adipose tissue. J Clin Invest 112(12):1785–1788. doi: 10.1172/JCI20514
Cancello R, Clement K (2006) Is obesity an inflammatory illness? Role of low-grade inflammation and macrophage infiltration in human white adipose tissue. BJOG 113(10):1141–1147. doi: 10.1111/j.1471-0528.2006.01004.x
Zhao P, Vieira Mde L, Grillo JA, Song P, Wu TC, Zheng JH, Arya V, Berglund EG, Atkinson AJ Jr, Sugiyama Y, Pang KS, Reynolds KS, Abernethy DR, Zhang L, Lesko LJ, Huang SM (2012) 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(1 Suppl):91S–108S. doi: 10.1177/0091270011415528
Duong JK, Kumar SS, Kirkpatrick CM, Greenup LC, Arora M, Lee TC, Timmins P, Graham GG, Furlong TJ, Greenfield JR, Williams KM, Day RO (2013) Population pharmacokinetics of metformin in healthy subjects and patients with type 2 diabetes mellitus: simulation of doses according to renal function. Clin Pharmacokinet 52(5):373–384. doi: 10.1007/s40262-013-0046-9
Rabinovich-Guilatt L, Siegler KE, Schultz A, Halabi A, Rembratt A, Spiegelstein O (2016) The effect of mild and moderate renal impairment on the pharmacokinetics of pridopidine, a new drug for Huntington’s disease. Br J Clin Pharmacol 81(2):246–255. doi: 10.1111/bcp.12792
Chow CYE, Sandy Pang K (2013) Why we need proper PBPK models to examine intestine and liver oral drug absorption. Curr Drug Metab 14(1):57–79. doi: 10.2174/138920013804545124
Mittal R, Coopersmith CM (2014) Redefining the gut as the motor of critical illness. Trends Mol Med 20(4):214–223. doi: 10.1016/j.molmed.2013.08.004
Pfeiffer RF (2003) Gastrointestinal dysfunction in Parkinson’s disease. Lancet Neurol 2(2):107–116. doi: 10.1016/s1474-4422(03)00307-7
Baraldo M (2008) The influence of circadian rhythms on the kinetics of drugs in humans. Expert Opin Drug Metab Toxicol 4(2):175–192. doi: 10.1517/17425255.4.2.175
Binkhorst L, Kloth JS, de Wit AS, de Bruijn P, Lam MH, Chaves I, Burger H, van Alphen RJ, Hamberg P, van Schaik RH, Jager A, Koch BC, Wiemer EA, van Gelder T, van der Horst GT, Mathijssen RH (2015) Circadian variation in tamoxifen pharmacokinetics in mice and breast cancer patients. Breast Cancer Res Treat 152(1):119–128. doi: 10.1007/s10549-015-3452-x
Dallmann R, Okyar A, Levi F (2016) Dosing-time makes the poison: circadian regulation and pharmacotherapy. Trends Mol Med 22(5):430–445. doi: 10.1016/j.molmed.2016.03.004
Rao RT, DuBois DC, Almon RR, Jusko WJ, Androulakis IP (2016) Mathematical modeling of the circadian dynamics of the neuroendocrine-immune network in experimentally induced arthritis. Am J Physiol Endocrinol Metab 00006:02016. doi: 10.1152/ajpendo.00006.2016
Ovacik MA, Sukumaran S, Almon RR, DuBois DC, Jusko WJ, Androulakis IP (2010) Circadian signatures in rat liver: from gene expression to pathways. BMC Bioinform 11:540. doi: 10.1186/1471-2105-11-540
Almon RR, Yang E, Lai W, Androulakis IP, Ghimbovschi S, Hoffman EP, Jusko WJ, Dubois DC (2008) Relationships between circadian rhythms and modulation of gene expression by glucocorticoids in skeletal muscle. Am J Physiol Regul Integr Comp Physiol 295(4):R1031–1047. doi: 10.1152/ajpregu.90399.2008
Almon RR, Yang E, Lai W, Androulakis IP, DuBois DC, Jusko WJ (2008) Circadian variations in rat liver gene expression: relationships to drug actions. J Pharmacol Exp Ther 326(3):700–716. doi: 10.1124/jpet.108.140186
Pierre K, Schlesinger N, Androulakis IP (2016) The role of the hypothalamic-pituitary-adrenal axis in modulating seasonal changes in immunity. Physiol Genomics 00006:02016. doi: 10.1152/physiolgenomics.00006.2016
Mavroudis PD, Corbett SA, Calvano SE, Androulakis IP (2015) Circadian characteristics of permissive and suppressive effects of cortisol and their role in homeostasis and the acute inflammatory response. Math Biosci 260:54–64. doi: 10.1016/j.mbs.2014.10.006
Mavroudis PD, Corbett SA, Calvano SE, Androulakis IP (2014) Mathematical modeling of light-mediated HPA axis activity and downstream implications on the entrainment of peripheral clock genes. Physiol Genomics 46(20):766–778. doi: 10.1152/physiolgenomics.00026.2014
Mavroudis PD, Scheff JD, Calvano SE, Androulakis IP (2013) Systems biology of circadian–immune interactions. J Innate Immun 5(2):153–162. doi: 10.1159/000342427
Mavroudis PD, Scheff JD, Calvano SE, Lowry SF, Androulakis IP (2012) Entrainment of peripheral clock genes by cortisol. Physiol Genomics 44(11):607–621. doi: 10.1152/physiolgenomics.00001.2012
Sajan J, Cinu T, Chacko A, Litty J, Jaseeda T (2009) Chronotherapeutics and chronotherapeutic drug delivery systems. Trop J Pharm Res 8(5):467–475
Haus E, Sackett-Lundeen L, Smolensky MH (2012) Rheumatoid arthritis: circadian rhythms in disease activity, signs and symptoms, and rationale for chronotherapy with corticosteroids and other medications. Bull NYU Hosp Jt Dis 70(Suppl 1):3–10
Cutolo M, Straub RH (2008) Circadian rhythms in arthritis: hormonal effects on the immune/inflammatory reaction. Autoimmun Rev 7(3):223–228. doi: 10.1016/j.autrev.2007.11.019
Lemmer B (1999) Chronopharmacokinetics: implications for drug treatment. J Pharm Pharmacol 51(8):887–890. doi: 10.1211/0022357991773294
Lemmer B (2012) The importance of biological rhythms in drug treatment of hypertension and sex-dependent modifications. Chronophysiol Ther 2:9–18. doi: 10.2147/cpt.s21861
Erkekoglu P, Baydar T (2012) Chronopharmacokinetics of drugs in toxicological aspects: a short review for pharmacy practitioners. J Res Pharm Pract 1(1):3–9. doi: 10.4103/2279-042X.99670
Okyar A, Dressler C, Hanafy A, Baktir G, Lemmer B, Spahn-Langguth H (2012) Circadian variations in exsorptive transport: in situ intestinal perfusion data and in vivo relevance. Chronobiol Int 29(4):443–453. doi: 10.3109/07420528.2012.668996
Iwasaki M, Koyanagi S, Suzuki N, Katamune C, Matsunaga N, Watanabe N, Takahashi M, Izumi T, Ohdo S (2015) Circadian modulation in the intestinal absorption of P-glycoprotein substrates in monkeys. Mol Pharmacol 88(1):29–37. doi: 10.1124/mol.114.096735
Iwasaki M, Koyanagi S, Suzuki N, Katamune C, Matsunaga N, Watanabe N, Takahashi M, Izumi T, Ohdo S (2015) Circadian modulation in the intestinal absorption of P-glycoprotein substrates in monkeys. Mol Pharmacol 88:29–37. doi: 10.1124/mol.114.096735
Adil MS, Arshad HM, Ilyaz M, Haadi A, Nematullah M (2014) Chronotherapeutics: targeting the disease at its ideal time. Pharma Innov J 2:12
Smolensky MH, Peppas NA (2007) Chronobiology, drug delivery, and chronotherapeutics. Adv Drug Deliv Rev 59(9–10):828–851. doi: 10.1016/j.addr.2007.07.001
Liu Q, Gong Y, Shi Y, Jiang L, Zheng C, Ge L, Liu J, Zhu J (2013) A novel multi-unit tablet for treating circadian rhythm diseases. AAPS Pharm Sci Tech 14(2):861–869. doi: 10.1208/s12249-013-9975-8
Peng HT, Bouak F, Vartanian O, Cheung B (2013) A physiologically based pharmacokinetics model for melatonin—effects of light and routes of administration. Int J Pharm 458(1):156–168. doi: 10.1016/j.ijpharm.2013.09.033
Tuck CH, Holleran S, Berglund L (1997) Hormonal regulation of lipoprotein(a) levels: effects of estrogen replacement therapy on lipoprotein(a) and acute phase reactants in postmenopausal women. Arterioscler Thromb Vasc Biol 17(9):1822–1829. doi: 10.1161/01.atv.17.9.1822
Bisdee J, Garlick P, James W (1989) Metabolic changes during the menstrual cycle. Br J Nutr 61:641–650
Chen A, Yarmush ML, Maguire T (2012) Physiologically based pharmacokinetic models: integration of in silico approaches with micro cell culture analogues. Curr Drug Metab 13(6):863–880
Jinno J, Oh D, Crison JR, Amidon GL (2000) Dissolution of ionizable water-insoluble drugs: the combined effect of pH and surfactant. J Pharm Sci 89(2):268–274. doi: 10.1002/(SICI)1520-6017(200002)89:2<268:AID-JPS14>3.0.CO;2-F
Savjani KT, Gajjar AK, Savjani JK (2012) Drug solubility: importance and enhancement techniques. ISRN Pharm 2012:195727. doi:10.5402/2012/195727
Takano R, Sugano K, Higashida A, Hayashi Y, Machida M, Aso Y, Yamashita S (2006) Oral absorption of poorly water-soluble drugs: computer simulation of fraction absorbed in humans from a miniscale dissolution test. Pharm Res 23(6):1144–1156. doi: 10.1007/s11095-006-0162-4
Hogben CA, Tocco DJ, Brodie BB, Schanker LS (1959) On the mechanism of intestinal absorption of drugs. J Pharmacol Exp Ther 125 (4):275-282
Magallanes L, Fotaki N, Bertola V, Barindelli A, Vazquez M, Fagiolio P (2015) Biorelevant in vitro dissolution testing to predict in vivo absorption of furosemide after oral administration. In: AAPS Annual Meeting
Testa B, Crivori P, Reist M, Carrupt P (2000) The influence of lipophilicity on the pharmacokinetic behavior of drugs: concepts and examples. Perspect Drug Discov Des 19:179–211. doi:10.1023/A:1008741731244
Hopkins AL (2009) Drug discovery: predicting promiscuity. Nature 462(7270):167–168. doi: 10.1038/462167a
Arnott JA, Kumar R, Planey SL (2013) Lipophilicity indices for drug development. J Appl Biopharm Pharmacokinet 1:31–38
Wils P, Warnery A, Phung-Ba V, Legrain S, Scherman D (1994) High lipophilicity decreases drug transport across intestinal epithelial cells. J Pharmacol Exp Ther 269(2):654–658
Shah VP, Amidon GL, Amidon GL, Lennernas H, Shah VP, Crison JR (2014) A theoretical basis for a biopharmaceutic drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability. Pharm Res 12:413–420. doi: 10.1208/s12248-014-9620-9
Gray V, Kelly G, Xia M, Butler C, Thomas S, Mayock S (2009) The science of USP 1 and 2 dissolution: present challenges and future relevance. Pharm Res 26(6):1289–1302. doi: 10.1007/s11095-008-9822-x
Mirza T, Bykadi SA, Ellison CD, Yang Y, Davit BM, Khan MA (2013) Use of in vitro-in vivo correlation to predict the pharmacokinetics of several products containing a BCS class 1 drug in extended release matrices. Pharm Res 30(1):179–190. doi: 10.1007/s11095-012-0861-y
Gonzalez-Garcia I, Mangas-Sanjuan V, Merino-Sanjuan M, Bermejo M (2015) In vitro-in vivo correlations: general concepts, methodologies and regulatory applications. Drug Dev Ind Pharm 41(12):1935–1947. doi: 10.3109/03639045.2015.1054833
Khan GM, Jiabi Z (1998) Formulation and in vitro evaluation of ibuprofen-carbopol® 974P-NF controlled release matrix tablets III: influence of co-excipients on release rate of the drug. J Controll Release 54(2):185–190. doi: 10.1016/s0168-3659(97)00225-3
Shoaib MH, Tazeen J, Merchant HA, Yousuf RI (2006) Evaluation of drug release kinetics from ibuprofen matrix tablets using HPMC. Pak J Pharm Sci 19(2):119–124
Yasmin D, Rahman R, Akter M (2013) Formulation development of directly compressed naproxen SR tablet using kollidon SR and avicel PH 102 polymer. Int Curr Pharm J 2(6):112–114
Pouton CW (2006) Formulation of poorly water-soluble drugs for oral administration: physicochemical and physiological issues and the lipid formulation classification system. Eur J Pharm Sci 29(3–4):278–287. doi: 10.1016/j.ejps.2006.04.016
Serajuddin AT (2007) Salt formation to improve drug solubility. Adv Drug Deliv Rev 59(7):603–616. doi: 10.1016/j.addr.2007.05.010
Yu LX (2008) Pharmaceutical quality by design: product and process development, understanding, and control. Pharm Res 25(4):781–791. doi: 10.1007/s11095-007-9511-1
Wu CY, Benet LZ (2005) Predicting drug disposition via application of BCS: transport/absorption/elimination interplay and development of a biopharmaceutics drug disposition classification system. Pharm Res 22(1):11–23
GastroPlus User Manual—Simulation Software for Drug Discovery and Development (2015) Version 9.0 edn. Simulations plus
Certara (2015) Hands-on experience with model-based drug development: incorporating population variability into mechanistic prediction of PK and modeling PK-PD, Princeton
Wang HY, Chen X, Jiang J, Shi J, Hu P (2016) Evaluating a physiologically based pharmacokinetic model for predicting the pharmacokinetics of midazolam in Chinese after oral administration. Acta Pharmacol Sin 37(2):276–284. doi: 10.1038/aps.2015.122
Barter ZE, Tucker GT, Rowland-Yeo K (2013) Differences in cytochrome p450-mediated pharmacokinetics between chinese and caucasian populations predicted by mechanistic physiologically based pharmacokinetic modelling. Clin Pharmacokinet 52(12):1085–1100. doi: 10.1007/s40262-013-0089-y
Honorio Tda S, Pinto EC, Rocha HV, Esteves VS, dos Santos TC, Castro HC, Rodrigues CR, de Sousa VP, Cabral LM (2013) In vitro-in vivo correlation of efavirenz tablets using GastroPlus(R). AAPS PharmSciTech 14 (3):1244-1254. doi:10.1208/s12249-013-0016-4
Mahmood AH, Liu X, Grice JE, Medley GA, Roberts MS (2015) Using deconvolution to understand the mechanism for variable plasma concentration-time profiles after intramuscular injection. Int J Pharm 481(1–2):71–78. doi: 10.1016/j.ijpharm.2015.01.046
Kesisoglou F, Xia B, Agrawal NG (2015) Comparison of deconvolution-based and absorption modeling IVIVC for extended release formulations of a BCS III drug development candidate. AAPS J 17(6):1492–1500. doi: 10.1208/s12248-015-9816-7
Wray S, Fox NC (2016) Stem cell therapy for Alzheimer’s disease: hope or hype? Lancet Neurol 15(2):133–135. doi: 10.1016/s1474-4422(15)00382-8
Paixao P, Gouveria, LF, Morais JAG (2012) Prediction of human oral bioavailability by using in vitro and in silico drug related parameters in a physiologically based absorption model. Int J Pharm 429:84–98
Mordenti J (1985) Pharmacokinetic scale-up: accurate prediction of human pharmacokinetic profiles from animal data. J Pharm Sci 74(10):1097–1099
Lombardo F, Waters NJ, Argikar UA, Dennehy MK, Zhan J, Gunduz M, Harriman SP, Berellini G, Liric Rajlic I, Obach RS (2013) Comprehensive assessment of human pharmacokinetic prediction based on in vivo animal pharmacokinetic data, part 2: clearance. J Clin Pharmacol 53(2):178–191. doi: 10.1177/0091270012440282
Lombardo F, Waters NJ, Argikar UA, Dennehy MK, Zhan J, Gunduz M, Harriman SP, Berellini G, Rajlic IL, Obach RS (2013) Comprehensive assessment of human pharmacokinetic prediction based on in vivo animal pharmacokinetic data, part 1: volume of distribution at steady state. J Clin Pharmacol 53(2):167–177. doi: 10.1177/0091270012440281
Gueorguieva II, Nestorov IA, Rowland M (2004) Fuzzy simulation of pharmacokinetic models: case study of whole body physiologically based model of diazepam. J Pharmacokinet Pharmacodyn 31(3):185–213
Gueorguieva I, Nestorov I, Rowland M (2002) Reducing PBPK models using global sensitivity approach and benefit/cost criterion. Paper presented at the population approach group Europe, Paris
Haas DM, Hebert MF, Soldin OP, Flockhart DA, Madadi P, Nocon JJ, Chambers CD, Hankins GD, Clark S, Wisner KL, Li L, Renbarger JL, Learman LA (2009) Pharmacotherapy and pregnancy: highlights from the second international conference for individualized pharmacotherapy in pregnancy. Clin Transl Sci 2(6):439–443. doi: 10.1111/j.1752-8062.2009.00166.x