N-in-1 dosing pharmacokinetics in drug discovery: Experience, theoretical and practical considerations

Journal of Pharmaceutical Sciences

Volumn 97, Issue 7, 2008, Pages 2568-2580

  He, Kan ^a   Qian, Mingxin ^a   Wong, Harvey ^a   Bai, Stephen A ^a   He, Bing ^a   Brogdon, Bernice ^a   Grace, James E ^a   Xin, Baomin ^a   Wu, Jingtao ^a   Ren, Shelly X ^a   Zeng, Hang ^a   Deng, Yuzhong ^a   Graden, Danielle M ^a   Olah, Timothy V ^a   Unger, Steve E ^a   Luettgen, Joseph M ^a   Knabb, Robert M ^a   Pinto, Donald J ^a   Lam, Patrick Y S ^a   Duan, James ^a   Wexler, Ruth R ^a   Decicco, Carl P ^a   Christ, David D ^a   Grossman, Scott J ^a   more..

^a BRISTOL MYERS SQUIBB   (United States)

Author keywords

Cassette doing; Drug discovery; Drug drug interactions; N in 1 dosing; Pharmacokinetics

Indexed keywords

ANIMAL EXPERIMENT; ARTICLE; CHIMPANZEE; CONTROLLED STUDY; DATA ANALYSIS; DOG; DRUG FORMULATION; DRUG RESEARCH; FEMALE; LIQUID CHROMATOGRAPHY; MALE; MASS SPECTROMETRY; NONHUMAN; QUALITY CONTROL; RAT;

EID: 52449089148     PISSN: 00223549     EISSN: 15206017     Source Type: Journal    
DOI: 10.1002/jps.21196     Document Type: Article

References (32)

1. Kennedy T. 1997. Managing the drug discovery/ development interface. Drug Discov Today 2:436-444.
2. Kerns EH, Di L. 2003. Pharmaceutical profiling in drug discovery. Drug Discov Today 8:316-323.
3. Di L, Kerns EH. 2003. Profiling drug-like properties in discovery research. Curr Opin Chem Biol 7:402-408.
4. Spalding DJ, Harker AJ, Bayliss MK. 2000. Combining high-throughput pharmacokinetic screens at the hits-to-leads stage of drug discovery. Drug Discov Today 5:70-76.
5. Berman J, Halm K, Adkison K, Shaffer J. 1997. Simultaneous pharmacokinetic screening of a mixture of compounds in the dog using API LC/MS/MS analysis for increased throughput. J Med Chem 40:827-829.
6. Olah TV, McLoughlin DA, Gilbert JD. 1997. The simultaneous determination of mixtures of drug candidates by liquid chromatography/atmospheric pressure chemical ionization mass spectrometry as an in vivo drug screening procedure. Rapid Com-mun Mass Spectrom 11:17-23.
7. Obach RS, Baxter JG, Liston TE, Silber BM, Jones BC, MacIntyre F, Rance DJ, Wastall P. 1997. The prediction of human pharmacokinetic parameters from preclinical and in vitro metabolism data. J Pharmacol Exp Ther 283:46-58.
8. Adkison KK, Halm KA, Shaffer JE, Drewry D, Sinhababu AK, Berman J. 1998. Discovery of a potent and selective alpha 1A antagonist. Utilization of a rapid screening method to obtain pharmacokinetic parameters. Pharm Biotechnol 11:423-443.
9. Allen MC, Shah TS, Day WW. 1998. Rapid determination of oral pharmacokinetics and plasma free fraction using cocktail approaches: Methods and application. Pharm Res 15:93-97.
10. Beaudry F, Le Blanc JC, Coutu M, Brown NK. 1998. In vivo pharmacokinetic screening in cassette dosing experiments; the use of on-line Pprospekt liquid chromatography/atmospheric pressure chemical ionization tandem mass spectrometry technology in drug discovery. Rapid Commun Mass Spectrom 12:1216-1222.
11. Shaffer JE, Adkison KK, Halm K, Hedeen K, Berman J. 1999. Use of "N-in-One" dosing to create an in vivo pharmacokinetics database for use in developing structure-pharmacokinetic relationships. J Pharm Sci 88:313-318.
12. Christ DD. 2001. Cassette dosing pharmacokinetics: Valuable tool or flawed science? Drug Metab Dispos 29:935.
13. White RE, Manitpisitkul P. 2001. Pharmacokinetic theory of cassette dosing in drug discovery screening. Drug Metab Dispos 29:957-966.
14. Manitpisitkul P, White RE. 2004. Whatever happened to cassette-dosing pharmacokinetics? Drug Discov Today 9:652-658.
15. Wu JT, Zeng H, Qian M, Brogdon BL, Unger SE. 2000. Direct plasma sample injection in multiple-component LC-MS-MS assays for high-throughput pharmacokinetic screening. Anal Chem 72:61-67.
16. McLoughlin DA, Olah TV, Gilbert JD. 1997. A direct technique for the simultaneous determination of 10 drug candidates in plasma by liquid chromatography-atmospheric pressure chemical ionization mass spectrometry interfaced to a Prospekt solid-phase extraction system. J Pharm Biomed Anal 15:1893-1901.
17. Zeng H, Wu JT, Unger SE. 2002. The investigation and the use of high flow column-switching LC/MS/ MS as a high-throughput approach for direct plasma sample analysis of single and multiple components in pharmacokinetic studies. J Pharm Biomed Anal 27:967-982.
18. Ito K, Iwatsubo T, Kanamitsu S, Ueda K, Suzuki H, Sugiyama Y. 1998. Prediction of pharmacokinetic alterations caused by drug-drug interactions: Metabolic interaction in the liver. Pharmacol Rev 50:387-412.
19. Kuroha M, Azumano A, Kuze Y, Shimoda M, Kokue E. 2002. Effect of multiple dosing of ketoconazole on pharmacokinetics of midazolam, a cytochrome P-450 3A substrate in beagle dogs. Drug Metab Dispos 30:63-68.
20. Segel IH. 1975. Enzyme kinetics. New York: John Wiley & Sons, Inc. pp 72-77.
21. Segel IH. 1975. Enzyme kinetics. New York: John Wiley & Sons, Inc. pp 465-504.
22. Shou M, Dai R, Cui D, Korzekwa KR, Baillie TA, Rushmore TH. 2001. A kinetic model for the metabolic interaction of two substrates at the active site of cytochrome P450 3 A4. J Biol Chem 276:2256-2262.
23. Ueng YF, Kuwabara T, Chun YJ, Guengerich FP. 1997. Cooperativity in oxidations catalyzed by cytochrome P450 3 A4. Biochemistry 36:370-381.
24. Wang RW, Newton DJ, Liu N, Atkins WM, Lu AY. 2000. Human cytochrome P-450 3 A4: In vitro drug-drug interaction patterns are substrate-dependent. Drug Metab Dispos 28:360-366.
25. Shou M, Lin Y, Lu P, Tang C, Mei Q, Cui D, Tang W, Ngui JS, Lin CC, Singh R, Wong BK, Yergey JA, Lin JH, Pearson PG, Baillie TA, Rodrigues AD, Rush-more TH. 2001. Enzyme kinetics of cytochrome P450-mediated reactions. Curr Drug Metab 2:17-36.
26. Copeland RA. 2000. Determination of serum protein binding affinity of inhibitors from analysis of concentration-response plots in biochemical activity assays. J Pharm Sci 89:1000-1007.
27. Tang W, Stearns RA, Kwei GY, Iliff SA, Miller RR, Egan MA, Yu NX, Dean DC, Kumar S, Shou M, Lin JH, Baillie TA. 1999. Interaction of diclofenac and quinidine in monkeys: Stimulation of diclofenac metabolism. J Pharmacol Exp Ther 291:1068-1074.
28. Ludwig E, Schmid J, Beschke K, Ebner T. 1999. Activation of human cytochrome P-450 3A4-catalyzed meloxicam 5′-methylhydroxylation by quinidine and hydroquinidine in vitro. J Pharmacol Exp Ther 290:1-8.
29. Balani SK, Nagaraja NV, Qian MG, Costa AO, Daniels JS, Yang H, Shimoga PR, Wu JT, Gan LS, Lee FW, Miwa GT. 2006. Evaluation of microdosing to assess pharmacokinetic linearity in rats using liquid chromatography-tandem mass spectro-metry. Drug Metab Dispos 34:384-388.
30. Lappin G, Kuhnz W, Jochemsen R, Kneer J, Chaudhary A, Oosterhuis B, Drijfhout WJ, Rowland M, Garner RC. 2006. Use of microdosing to predict pharmacokinetics at the therapeutic dose: Experience with 5 drugs. Clin Pharmacol Ther 80:203-215.
31. Ackermann BL, Berna MJ, Murphy AT. 2002. Recent advances in use of LC/MS/MS for quantitative high-throughput bioanalytical support of drug discovery. Curr Top Med Chem 2:53-66.
32. Keseruu GM, Molnar L. 2002. METAPRINT: A metabolic fingerprint. Application to cassette design for high-throughput ADME screening. J Chem Inf Comput Sci 42:437-444.