PhRMA CPCDC initiative on predictive models of human pharmacokinetics, part 1: Goals, properties of the PhRMA dataset, and comparison with literature datasets

Journal of Pharmaceutical Sciences

Volumn 100, Issue 10, 2011, Pages 4050-4073

  Poulin, Patrick ^a   Jones, Hannah M ^b   Jones, Rhys Do ^c   Yates, James W T ^c   Gibson, Christopher R ^d   Chien, Jenny Y ^e   Ring, Barbara J ^e   Adkison, Kimberly K ^f   He, Handan ^g   Vuppugalla, Ragini ^h   Marathe, Punit ^h   Fischer, Volker ⁱ   Dutta, Sandeep ⁱ   Sinha, Vikash K ^j   Björnsson, Thorir ^k   Lavé, Thierry ^l   Ku, M Sherry ^m  

^a Pfizer Ltd ^*  (Canada)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

^c ASTRAZENECA   (United Kingdom)

^d MERCK RESEARCH LABORATORIES   (United States)

^e ELI LILLY AND COMPANY   (United States)

^f GLAXOSMITHKLINE   (United States)

^g NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^h BRISTOL MYERS SQUIBB   (United States)

ⁱ ABBOTT LABORATORIES   (United States)

^j JANSSEN RESEARCH AND DEVELOPMENT   (Belgium)

^k CRITICAL PATH INSTITUTE   (United States)

^l F HOFFMANN LA ROCHE LTD   (Switzerland)

^m Anchen Pharmaceuticals Inc   (United States)

more..

Author keywords

Allometry; Bioavailability; Clearance; Computational ADME; First in human; Oral absorption; PBPK; Pharmacokinetics; PhRMA; Volume of distribution

Indexed keywords

AMPHOLYTE; DRUG;

AREA UNDER THE CURVE; ARTICLE; COMPARATIVE STUDY; DISTRIBUTION VOLUME; DRUG BIOAVAILABILITY; DRUG CLEARANCE; DRUG ELIMINATION; DRUG EXPOSURE; DRUG HALF LIFE; DRUG METABOLISM; DRUG PENETRATION; DRUG SCREENING; EXPERIMENTAL DOG; EXPERIMENTAL GUINEA PIG; EXPERIMENTAL MONKEY; EXPERIMENTAL MOUSE; EXPERIMENTAL PIG; EXPERIMENTAL RABBIT; HUMAN; IN VITRO STUDY; IN VIVO STUDY; KIDNEY CLEARANCE; LIPOPHILICITY; LIVER CLEARANCE; MAXIMUM PLASMA CONCENTRATION; METHODOLOGY; MICROSOME; MODEL; MOLECULAR WEIGHT; NONHUMAN; PHYSICAL CHEMISTRY; PLASMA CLEARANCE; PLASMA CONCENTRATION-TIME CURVE; PLASMA PROTEIN BINDING; PREDICTION; STATISTICAL ANALYSIS; TIME TO MAXIMUM PLASMA CONCENTRATION; ACCESS TO INFORMATION; ANIMAL; BIOLOGICAL MODEL; BLOOD; CHEMISTRY; COMPUTER SIMULATION; COOPERATION; DRUG DATABASE; DRUG DEVELOPMENT; INTERDISCIPLINARY COMMUNICATION; INTRAVENOUS DRUG ADMINISTRATION; METABOLISM; ORAL DRUG ADMINISTRATION; PHARMACOKINETICS; PROCEDURES; PROGRAM DEVELOPMENT; PROGRAM EVALUATION; REPRODUCIBILITY; RISK ASSESSMENT; RISK FACTOR; SPECIES DIFFERENCE; STATISTICAL MODEL;

ACCESS TO INFORMATION; ADMINISTRATION, INTRAVENOUS; ADMINISTRATION, ORAL; ANIMALS; COMPUTER SIMULATION; COOPERATIVE BEHAVIOR; DATABASES, PHARMACEUTICAL; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; INTERDISCIPLINARY COMMUNICATION; MODELS, BIOLOGICAL; MODELS, STATISTICAL; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; PROGRAM DEVELOPMENT; PROGRAM EVALUATION; REPRODUCIBILITY OF RESULTS; RISK ASSESSMENT; RISK FACTORS; SPECIES SPECIFICITY;

EID: 80052269425     PISSN: 00223549     EISSN: 15206017     Source Type: Journal    
DOI: 10.1002/jps.22554     Document Type: Article

References (47)

1. Food and Drug Administration (FDA). 2002. Estimating the safe starting dose in clinical trials for therapeutics in adult healthy volunteers. Guidance for industry. Rockville, Maryland. Available at:.
2. Food and Drug Administration (FDA). 2005. Estimating the maximum safe starting dose in initial clinical trials for therapeutics in adult healthy volunteers. Guidance for industry. Rockville, Maryland. Available at:.
3. Food and Drug Administration (FDA). 2010. S9 non clinical evaluation for anticancer pharmaceuticals. Guidance for industry. Rockville, Maryland. Available at:.
4. Collins JM, Grieshaber CK, Chabner BA. 1990. Pharmacologically guided phase I clinical trials based upon preclinical drug development. J Natl Cancer Inst 82:1321-1326.
5. Boxenbaum H, DiLea C. 1995. First-time-in-human dose selection: Allometric thoughts and perspectives. J Clin Pharmacol 35:943-956.
6. Mahmood I. 2006. Prediction of human drug clearance from animal data: Application of the rule of exponent and fu corrected intercept method (FCIM). J Pharm Sci 95:1810-1821.
7. Mahmood I. 2002. Prediction of clearance in humans from in vitro human liver microsomes and allometric scaling. A comparative study of the two approaches. Drug Metab Drug Inter 19:49-64.
8. Mahmood I, Balian JD. 1996. Interspecies scaling: Predicting clearance of drugs in humans. Three different approaches. Xenobiotica 26:887-895.
9. Mahmood I. 2002. Interspecies scaling: Predicting oral clearance in humans. Am J Ther 9:35-42.
10. Ward KW, Smith BR. 2004. A comprehensive quantitative and qualitative evaluation of extrapolation of intravenous pharmacokinetic parameters from rat, dog, and monkey to humans. I. Clearance. Drug Metab Dispos 32:603-611.
11. Tang H, Hussain A, Leal M, Mayersohn M, Fluhler E. 2007. Interspecies prediction of human drug clearance based on scaling data from one or two animal species. Drug Metab Dispos 35:1886-1893.
12. Tang H, Mayersohn M. 2005. A novel method for prediction of human drug clearance by allometric scaling. Drug Metab Dispos 33:1297-1303.
13. Wajima T, Fukumura K, Yano Y, Oguma T. 2003. Prediction of human pharmacokinetics from animal data and molecular structural parameters using multivariate regression analysis: Oral clearance. J Pharm Sci 92:2427-2440.
14. Obach RS. 1999. Prediction of human clearance of twenty-nine drugs from hepatic microsomal intrinsic clearance data: An examination of in vitro half-life approach and nonspecific binding to microsomes. Drug Metab Dispos 27:1350-1359.
15. Obach RS, Lombardo F, Waters NJ. 2008. Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug Metab Dispos 36:1385-1405.
16. Sinha VK, De Buck SS, Fenu LA, Smit JW, Nijsen M, Gilissen RA, Van Peer A, Lavrijsen K, Mackie CE. 2008. Predicting oral clearance in humans. How close can we get with allometry. Clin Pharmacokinet 47:35-45.
17. Hosea NA, Collard WT, Cole S, Maurer TS, Fang RX, Jones H, Kakar SM, Nakai Y, Smith BJ, Webster R, Beaumont K. 2009. Prediction of human pharmacokinetics from preclinical information: Comparative accuracy of quantitative prediction approaches. J Clin Pharm 49:513-33.
18. Goteti K, Garner CE, Mahmood I. 2009. Prediction of human drug clearance from two species: A comparison of several allometric methods. J Pharm Sci 10:1-13.
19. Jones HM, Parrott N, Jorga K, Lave T. 2006. A novel strategy for physiologically based predictions of human pharmacokinetics. Clin Pharmacokinet 45(5):511-542.
20. De Buck SS, Sinha VK, Fenu LA, Nijsen MJ, Mackie CE, Gilissen RA. 2007. Prediction of human pharmacokinetics using physiologically based modeling: A retrospective analysis of 26 clinically tested drugs. Drug Metab Dispos 35:1766-1780.
21. Fagerholm U. 2007. Prediction of human pharmacokinetics: Evaluation of methods for prediction of volume of distribution. J Pharm Pharmacol 59:1181-1190.
22. Fagerholm U. 2007. Prediction of human pharmacokinetics: Evaluation of methods for prediction of hepatic metabolic clearance. J Pharm Pharmacol 59:803-828.
23. Fagerholm U. 2007. Prediction of human pharmacokinetics: Gastrointestinal absorption. J Pharm Pharmacol 59:905-916.
24. Halifax D, Foster JA, Houston BJ. 2010. Prediction of human metabolic clearance from in vitro systems: Retrospective analysis and prospective view. Pharm Res 27:2150-2161.
25. Jones RDO, Jones HM, Rowland M, Gibson CR, Yates JWT, Chien JY, Ring BJ, Adkison KK, Ku MS, He H, Vuppugalla R, Marathe P, Fisher V, Dutta S, Sinha VK, Björnsson T, Lavé T, Poulin P. 2011. PhRMA PISC initiative on predictive models of human pharmacokinetics. 2. Comparative assessment of prediction methods of human volume of distribution. J Pharm Sci (submitted as a companion paper).
26. Ring B, Chien JY, Adkison KK, Jones HM, Rowland M, Jones RDO, Yates JWT, Ku MS, Gibson CR, He H, Vuppugalla R, Marathe M, Fisher V, Dutta S, Sinha V, Björnsson T, Lavé T, Poulin P. 2011. PhRMA PISC initiative on predictive models of human pharmacokinetics. 3. Comparative assessment of prediction methods of human clearance. J Pharm Sci (submitted as a companion paper).
27. Vuppugalla R, Marathe P, He H, Jones RDO, Yates JWT, Jones HM, Gibson CR, Chien JY, Ring BJ, Adkison KK, Ku MS, Fisher V, Dutta S, Sinha VK, Björnsson T, Lavé T, Poulin P. 2011. PhRMA PISC initiative on predictive models of human pharmacokinetics. 4. Prediction of plasma concentration-time profiles in human from in vivo preclinical data by using the Wajima approach. J Pharm Sci (submitted as a companion paper).
28. Poulin P, Jones RDO, Jones HM, Gibson CR, Rowland M, Chien JY, Ring BJ, Adkison KK, Ku MS, He H, Vuppugalla R, Marathe P, Fisher V, Dutta S, Sinha VK, Björnsson T, Lavé T, Yates JWT. 2011. PhRMA PISC 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 (submitted as a companion paper).
29. Poulin P, Theil FP. 2009. Development of a novel method for predicting human volume of distribution at steady-state of basic drugs and comparative assessment with existing methods. J Pharm Sci 98:4941-4961.
30. Lin L, Hedayat AS, Wu W. 2007. A unified approach for assessing agreement for continuous and categorical data. J Biopharm Stat 17:629-652.
31. Lin L. 2000. A note on the concordance correlation coefficient. Biometrics 56:324-325.
32. Food and Drug Administration (FDA). 2002. Waiver of in vivo bioavailability and bioequivalence studies for immediate-release solid oral dosage forms based on a biopharmaceutics classification system. Guidance for the industry. Rockville, MD.
33. Takagi T, Ramachandran C, Bermejo M, Yamashita S, Yu LX, Amidon GL. 2006. A provisional biopharmaceutical classification of the top 200 oral drug products in the United States, Great Britain, Spain, and Japan. Mol Pharmacol 3:631-643.
34. Kasim NA, Whitehouse M, Ramachandran C, Bermejo M, Lennerna SH, Hussain AS, Junginger HE, Stavchansky SA, Midha KK, Shah VP, Amidon GL. 2004. Molecular properties of WHO essential drugs and provisional biopharmaceutical classification. Mol Pharmacol 1:85-96.
35. World Health Organization (WHO). 2006. Proposal to waive in vivo bioequivalence requirements for WHO model list of essential medicines immediate-release, solid oral dosage forms. Geneva, Switzerland: Technical Report Series No. 937.
36. Lindenberg M, Kopp S, Dressman JB. 2004. Classification of orally administered drugs on the World Health Organization model of essential medicines according to the biopharmaceutics classification system. Eur J Pharm Biopharm 58:265-278.
37. 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 22:11-23.
38. Ku SM. 2006. An oral formulation decision tree based on the biopharmaceutical classification system for first in human clinical trials. Gattefossé Bull Tech 99:89-92.
39. World Health Organization (WHO). 2005. List of essential drugs. 14th ed. Geneva, Switzerland. Available at:.
40. Lipiniski CA, Lombardo F, Dominy BW, Feeney PJ. 1997. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 23:3-25.
41. Kerns EH, Di L. 2002. Multivariate pharmaceutical profiling for drug discovery. Curr Top Med Chem 2:87-98.
42. Braeckman R. 2009. Pharmacokinetics/ADME of large molecules. In Preclinical drug development; Rogge M, Taft DR, Eds. Vol. 187. 2nd ed. Drugs and the Pharmaceutical Sciences, pp 117.
43. Food and Drug Administration (FDA). 2009. Table of valid genomic biomarkers in the context of approved drug labels: Notes. Rockville, Maryland. Available at:.
44. Smith DA. 1993. Integration of animal pharmacokinetic and pharmacodynamic data in drug safety assessment. Eur J Drug Metab Pharmacokinet 18:31-39.
45. Fuse E, Kuwabara T, Sparreboom A, Sausville EA, Figg WD. 2005. Review of UCN-01 development: A lesson in the importance of clinical pharmacology. J Clin Pharmacol 45:394-403.
46. Food and Drug Administration (FDA). 2008. Safety testing of drug metabolites. Guidance for the Industry. Rockville, Maryland. Available at:.
47. Sharma V, McNeill JH. 2009. To scale or not to scale: The principles of dose extrapolation. Br J Pharmacol 157:907-921.