Practical anticipation of human efficacious doses and pharmacokinetics using in vitro and preclinical in vivo data

AAPS Journal

Volumn 11, Issue 3, 2009, Pages 602-614

  Heimbach, Tycho ^a   Lakshminarayana, Suresh B ^b   Hu, Wenyu ^a   He, Handan ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^b NOVARTIS INSTITUTE FOR TROPICAL DISEASES   (Singapore)

Author keywords

Formulation; Human dose prediction; Modeling; PBPK; PK PD

Indexed keywords

ANTILIPEMIC AGENT; ANTIVIRUS AGENT; DRUG;

ALLOMETRY; ANTICIPATION OF HUMAN DOSE; AREA UNDER THE CURVE; ARTICLE; BIOAVAILABILITY; COMPARTMENT MODEL; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER PROGRAM; DRUG ABSORPTION; DRUG BLOOD LEVEL; DRUG CLEARANCE; DRUG DISTRIBUTION; DRUG DOSAGE FORM; DRUG EFFICACY; DRUG FORMULATION; DRUG POTENCY; DRUG SCREENING; DRUG SOLUBILITY; HUMAN; IC 50; IN VITRO STUDY; IN VIVO STUDY; MAXIMUM PLASMA CONCENTRATION; NONHUMAN; PHARMACODYNAMICS; PHARMACOKINETICS; PHARMACOLOGICAL PARAMETERS; PRODUCT DEVELOPMENT; RISK ASSESSMENT;

DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DESIGN; HUMANS; PHARMACOKINETICS;

EID: 73349092713     PISSN: 15507416     EISSN: None     Source Type: Journal    
DOI: 10.1208/s12248-009-9136-x     Document Type: Article

References (55)

1. PJ Lowe Y Hijazi O Luttringer H Yin R Sarangapani D Howard 2007 On the anticipation of the human dose in first-in-man trials from preclinical and prior clinical information in early drug development Xenobiotica 37 1331 1354 17968748 10.1080/00498250701648008 1:CAS:528:DC%2BD2sXht1ahu7rK (Pubitemid 350035529)
2. VH Thomas S Bhattachar L Hitchingham P Zocharski M Naath N Surendran, et al. 2006 The road map to oral bioavailability: an industrial perspective Expert Opin Drug Metab Toxicol 2 591 608 16859407 10.1517/17425255.2.4.591 1:CAS:528:DC%2BD28Xnt1ahsLs%3D (Pubitemid 46127071)
3. R Miller W Ewy W Corrigan Brian D Ouellet D Hermann G Kowalski Kenneth, et al. 2005 How modeling and simulation have enhanced decision making in new drug development J Pharmacokinet Pharmacodyn 32 185 197 16283534 10.1007/s10928-005-0074-7 (Pubitemid 41712739)
4. C Huang M Zheng Z Yang AD Rodrigues P Marathe 2008 Projection of exposure and efficacious dose prior to first-in-human studies: how successful have we been? Pharm Res 25 713 726 17899327 10.1007/s11095-007-9411-4 1:CAS:528:DC%2BD1cXkt1Snsbk%3D (Pubitemid 351661834)
5. GL Amidon H Lennernaes VP Shah JR Crison 1995 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 7617530 10.1023/A:1016212804288 1:CAS:528:DyaK2MXksVGqur8%3D
6. JM Custodio C-Y Wu LZ Benet 2008 Predicting drug disposition, absorption/elimination/transporter interplay and the role of food on drug absorption Adv Drug Deliv Rev 60 717 733 18199522 10.1016/j.addr.2007.08.043 1:CAS:528:DC%2BD1cXitVOmsr0%3D
7. S Li H He LJ Parthiban H Yin ATM Serajuddin 2005 IV-IVC considerations in the development of immediate-release oral dosage form J Pharm Sci 94 1396 1417 15920764 10.1002/jps.20378 1:CAS:528:DC%2BD2MXlslCrtrc%3D (Pubitemid 41168672)
8. CA Lipinski 2001 Drug-like properties and the causes of poor solubility and poor permeability J Pharmacol Toxicol Methods 44 235 249 10.1016/S1056-8719(00)00107-6
9. NA Kasim M Whitehouse C Ramachandran M Bermejo H Lennernaes AS Hussain, et al. 2004 Molecular properties of WHO essential drugs and provisional biopharmaceutical classification Mol Pharm 1 85 96 15832504 10.1021/mp034006h 1:CAS:528:DC%2BD3sXpvVSmsb8%3D
10. J Gabrielsson H Dolgos PG Gillberg U Bredberg B Benthem G Duker 2009 Early integration of pharmacokinetic and dynamic reasoning is essential for optimal development of lead compounds: strategic considerations Drug Discov Today 14 358 372 19162219 10.1016/j.drudis.2008.12.011 1:CAS:528: DC%2BD1MXjvVWgsbs%3D
11. I Mahmood 2006 Prediction of human drug clearance from animal data: application of the rule of exponents and 'fu corrected intercept method' (FCIM) J Pharm Sci 95 1810 1821 16795002 10.1002/jps.20650 1:CAS:528: DC%2BD28XnvF2itLc%3D (Pubitemid 44229587)
12. I Mahmood R Yuan 1999 A comparative study of allometric scaling with plasma concentrations predicted by species-invariant time methods Biopharm Drug Dispos 20 137 144 10211866 10.1002/(SICI)1099-081X(199904)20:3<137::AID- BDD165>3.0.CO;2-I 1:CAS:528:DyaK1MXit1Kqt7c%3D (Pubitemid 29137671)
13. H Tang M Mayersohn 2005 A novel model for prediction of human drug clearance by allometric scaling Drug Metab Dispos 33 1297 1303 15958605 10.1124/dmd.105.004143 1:CAS:528:DC%2BD2MXpsFamtrc%3D (Pubitemid 41196972)
14. Mahmood I. Interspecies pharmacokinetic scaling: allometric principles and applications. Rockville: Pine House; 2005.
15. RS Obach JG Baxter TE Liston BM Silber BC Jones F Macintyre, et al. 1997 The prediction of human pharmacokinetic parameters from preclinical and in vitro metabolism data J Pharmacol Exp Ther 283 46 58 9336307 1:CAS:528: DyaK2sXmslCltr0%3D
16. RS Obach F Lombardo NJ Waters 2008 Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds Drug Metab Dispos 36 1385 1405 18426954 10.1124/dmd.108.020479 1:CAS:528: DC%2BD1cXotVensr0%3D (Pubitemid 351929323)
17. N Hosea WT Collard S Cole TS Maurer RX Fang H Jones, et al. 2009 Prediction of human pharmacokinetics from preclinical information: comparative accuracy of quantitative prediction approaches J Clin Pharm. 49 513 10.1177/0091270009333209 1:CAS:528:DC%2BD1MXlsFWmu74%3D
18. S Oie TN Tozer 1979 Effect of altered plasma protein binding on apparent volume of distribution J Pharm Sci 68 1203 1205 501558 10.1002/jps.2600680948 1:STN:280:DyaL3c%2FltFKgtw%3D%3D (Pubitemid 10231273)
19. SS De Buck VK Sinha LA Fenu MJ Nijsen CE Mackie RAHJ Gilissen 2007 Prediction of human pharmacokinetics using physiologically based modeling: a retrospective analysis of 26 clinically tested drugs Drug Metab Dispos 35 1766 1780 17620347 10.1124/dmd.107.015644 (Pubitemid 47481568)
20. HM Jones N Parrott K Jorga T Lave 2006 A novel strategy for physiologically based predictions of human pharmacokinetics Clin Pharmacokinet 45 511 542 16640456 10.2165/00003088-200645050-00006 1:CAS:528: DC%2BD28Xlt1Kgsbo%3D
21. O Luttringer F-P Theil P Poulin AH Schmitt-Hoffmann TW Guentert T Lave 2003 Physiologically based pharmacokinetic (PBPK) modeling of disposition of epiroprim in humans J Pharm Sci 92 1990 2007 14502539 10.1002/jps.10461 1:CAS:528:DC%2BD3sXnvFOms78%3D (Pubitemid 37175630)
22. N Parrott H Jones N Paquereau T Lave 2005 Application of full physiological models for pharmaceutical drug candidate selection and extrapolation of pharmacokinetics to man Basic Clin Pharmacol Toxicol 96 193 199 15733214 10.1111/j.1742-7843.2005.pto960308.x 1:CAS:528:DC%2BD2MXisFSmu7g%3D (Pubitemid 40387995)
23. A Fura V Vyas W Humphreys A Chimalokonda D Rodrigues 2008 Prediction of human oral pharmacokinetics using nonclinical data: examples involving four proprietary compounds Biopharm Drug Dispos 29 455 468 18989850 10.1002/bdd.632 1:CAS:528:DC%2BD1MXlsFCgsw%3D%3D
24. CL Stoner A Cleton K Johnson D-M Oh H Hallak J Brodfuehrer, et al. 2004 Integrated oral bioavailability projection using in vitro screening data as a selection tool in drug discovery Int J Pharm 269 241 249 14698595 10.1016/j.ijpharm.2003.09.006 1:CAS:528:DC%2BD3sXpvFekur4%3D (Pubitemid 38032836)
25. VK Sinha SS De Buck LA Fenu JW Smit M Nijsen AHJ Gilissen, et al. 2008 Predicting oral clearance in humans: how close can we get with allometry? Clin Pharmacokinet 47 35 45 18076217 10.2165/00003088-200847010-00004 1:CAS:528:DC%2BD1cXhvF2qu7w%3D
26. T Wajima Y Yano K Fukumura T Oguma 2004 Prediction of human pharmacokinetic profile in animal scale up based on normalizing time course profiles J Pharm Sci 93 1890 1900 15176076 10.1002/jps.20099 1:CAS:528:DC%2BD2cXltlKrs7c%3D (Pubitemid 38823714)
27. R-M Dannenfelser H He Y Joshi S Bateman ATM Serajuddin 2004 Development of clinical dosage forms for a poorly water soluble drug I: application of polyethylene glycol-polysorbate 80 solid dispersion carrier system J Pharm Sci 93 1165 1175 15067693 10.1002/jps.20044 1:CAS:528:DC%2BD2cXjsFKisb8%3D (Pubitemid 38529690)
28. F Kesisoglou Y Wu 2008 Understanding the effect of API properties on bioavailability through absorption modeling AAPS J 10 516 525 19002590 10.1208/s12248-008-9061-4 1:CAS:528:DC%2BD1MXltVSls74%3D
29. H Tang A Hussain M Leal M Mayersohn E Fluhler 2007 Interspecies prediction of human drug clearance based on scaling data from one or two animal species Drug Metab Dispos 35 1886 1893 17646280 10.1124/dmd.107.016188 1:CAS:528:DC%2BD2sXhtFansbfO (Pubitemid 47481583)
30. H Tang M Mayersohn 2005 A mathematical description of the functionality of correction factors used in allometry for predicting human drug clearance Drug Metab Dispos 33 1294 1296 15919851 10.1124/dmd.105.004135 1:CAS:528: DC%2BD2MXpsFamtrY%3D (Pubitemid 41196971)
31. B Agoram WS Woltosz MB Bolger 2001 Predicting the impact of physiological and biochemical processes on oral drug bioavailability Adv Drug Delivery Rev 50 S41 S67 10.1016/S0169-409X(01)00179-X 1:CAS:528:DC%2BD3MXntVWku74%3D (Pubitemid 32905355)
32. FDA. Estimating the safe starting dose in clinical trials for therapeutics in adult healthy volunteers (draft guidance), 2002.
33. M Jamei D Turner J Yang S Neuhoff S Polak A Rostami-Hodjegan, et al. 2009 Population-based mechanistic prediction of oral drug absorption AAPS J 11 225 237 19381840 10.1208/s12248-009-9099-y 1:CAS:528:DC%2BD1MXhtVWqs7rN
34. LX Yu E Lipka JR Crison GL Amidon 1996 Transport approaches to the biopharmaceutical design of oral drug delivery systems: prediction of intestinal absorption Adv Drug Deliv Rev 19 359 376 11540095 10.1016/0169-409X(96)00009-9 1:CAS:528:DyaK28XjsF2qu7g%3D (Pubitemid 26227526)
35. Gabrielsson J, Weiner D. Pharmacokinetic and pharmacodynamic data analysis: concepts and applications. 4th ed. Baco Raton: CRC; 2000.
36. B Davies T Morris 1993 Physiological parameters in laboratory animals and humans Pharm Res 10 1093 1095 8378254 10.1023/A:1018943613122 1:STN:280:DyaK3szptFaqsg%3D%3D (Pubitemid 23211439)
37. Lukacova V, Parrott NJ, Lavè T, Fraczkiewicz G, Bolger MB, Woltosz WS. Role of fraction unbound in plasma in calculations of tissue: plasma partition coefficients. AAPS National Meeting, Atlanta, Georgia, 2008.
38. T Rodgers D Leahy M Rowland 2007 Physiologically based pharmacokinetic modeling: predicting the tissue distribution of moderate-to-strong bases. [Erratum to document cited in CA143:221762] J Pharm Sci 96 3151 3152 10.1002/jps.20856 1:CAS:528:DC%2BD2sXht12jtrvK (Pubitemid 350221210)
39. T Rodgers M Rowland 2007 Physiologically-based pharmacokinetic modeling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions J Pharm Sci 96 3153 3154 10.1002/jps.20857 1:CAS:528: DC%2BD2sXht12jtrvE (Pubitemid 350221211)
40. B Meibohm H Derendorf 1997 Basic concepts of pharmacokinetic/ pharmacodynamic (PK/PD) modelling Int J Clin Pharmacol Ther 35 401 413 9352388 1:CAS:528:DyaK2sXms1CksL8%3D
41. KC Kwan 1997 Oral bioavailability and first-pass effects Drug Metab Dispos 25 1329 1336 9394021 1:CAS:528:DyaK2sXotVymtr0%3D
42. P Gao W Morozowich 2007 Case studies: rational development of self-emulsifying formulations for improving the oral bioavailability of poorly soluble, lipophilic drugs Drugs Pharm Sci 170 273 302 1:CAS:528: DC%2BD2sXot1Sntrk%3D
43. T Lave P Coassolo B Reigner 1999 Prediction of hepatic metabolic clearance based on interspecies allometric scaling techniques and in vitro-in vivo correlations Clin Pharmacokinet 36 211 231 10223169 10.2165/00003088- 199936030-00003 1:CAS:528:DyaK1MXivFSrt74%3D
44. ET Hellriegel TD Bjornsson WW Hauck 1996 Interpatient variability in bioavailability is related to the extent of absorption: implications for bioavailability and bioequivalence studies Clin Pharmacol Ther 60 601 607 8988062 10.1016/S0009-9236(96)90208-8 1:CAS:528:DyaK2sXms1eqsQ%3D%3D (Pubitemid 27025907)
45. J Dressman C Reppas 2007 Drug solubility: how to measure it, how to improve it Adv Drug Deliv Rev 59 531 532 10.1016/j.addr.2007.05.014 1:CAS:528:DC%2BD2sXpsFGlu7c%3D (Pubitemid 47285411)
46. WJ Jusko HC Ko 1994 Physiologic indirect response models characterize diverse types of pharmacodynamic effects Clin Pharmacol Ther 56 406 419 7955802 1:CAS:528:DyaK2MXitFWqtb8%3D
47. EF Adolph 1949 Quantitative relations in the physiological constitution of mammals Science 109 579 585 17835379 10.1126/science.109.2841.579
48. WL Chiou A Barve 1998 Linear correlation of the fraction of oral dose absorbed of 64 drugs between humans and rats Pharm Res 15 1792 1795 9834005 10.1023/A:1011981317451 1:CAS:528:DyaK1cXnsFSnsL8%3D (Pubitemid 28524594)
49. RL Dedrick KB Bischoff DS Zaharko 1970 Interspecies correlation of plasma concentration history of methotrexate (NSC-740) Cancer Chemother Rep 54 95 101 5003581 1:CAS:528:DyaE3cXksVersLc%3D
50. Gibson CR, Bergman A, Lu P, Kesisoglou F, Denney WS, Mulrooney E. Prediction of phase I single-dose pharmacokinetics using recombinant cytochromes P450 and physiologically based modelling. Xenobiotica. 2009;1-12. http://www.informahealthcare.com/action/doSearch.
51. K Ito JB Houston 2005 Prediction of human drug clearance from in vitro and preclinical data using physiologically based and empirical approaches Pharm Res 22 103 112 15771236 10.1007/s11095-004-9015-1 1:CAS:528:DC%2BD2MXhtlCksrw%3D (Pubitemid 40558152)
52. P Poulin K Schoenlein F-P Theil 2001 Prediction of adipose tissue:plasma partition coefficients for structurally unrelated drugs J Pharm Sci 90 436 447 11170034 10.1002/1520-6017(200104)90:4<436::AID-JPS1002>3.0.CO;2-P 1:CAS:528:DC%2BD3MXivVant7s%3D (Pubitemid 32303158)
53. P Poulin F-P Theil 2000 A priori prediction of tissue:plasma partition coefficients of drugs to facilitate the use of physiologically-based pharmacokinetic models in drug discovery J Pharm Sci 89 16 35 10664535 10.1002/(SICI)1520-6017(200001)89:1<16::AID-JPS3>3.0.CO;2-E 1:CAS:528:DC%2BD3cXit1eis7c%3D (Pubitemid 30080151)
54. T Rodgers D Leahy M Rowland 2005 Physiologically based pharmacokinetic modeling: predicting the tissue distribution of moderate-to-strong bases J Pharm Sci 94 1259 1276 15858854 10.1002/jps.20322 1:CAS:528:DC%2BD2MXkvF2qtLs%3D (Pubitemid 40904190)
55. HM Jones N Parrott G Ohlenbusch T Lave 2006 Predicting pharmacokinetic food effects using biorelevant solubility media and physiologically based modelling Clin Pharmacokinet 45 1213 1226 17112297 10.2165/00003088-200645120- 00006 1:CAS:528:DC%2BD2sXnt1entQ%3D%3D (Pubitemid 44904824)