High throughput strategies for in vitro adme assays: How fast can we go?

Using Mass Spectrometry for Drug Metabolism Studies

Volumn , Issue , 2004, Pages 83-102

  Kassel, Daniel B ^a  

^a Takeda San Diego Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85056533764     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter

References (46)

1. Lipper, R.A., How can we optimize selection of drug development candidates from many compounds at the discovery stage?, Modern Drug Discovery, 2(1), 55, 1999.
2. Rodrigues, A.D., New technologies and approaches for increasing drug candidate survivability: lead identification to lead optimization, in CPSA, Princeton, NJ, 2001, Lee, M., Ed., CPSA.
3. Thompson, T.N., Optimization of metabolic stability as a goal of modern drug design, Med. Res. Rev., 21(5), 412, 2001.
4. Smith, D.A. and van de Waterbeemd, H., Pharmacokinetics and metabolism in early drug discovery, Curr. Opin. Chem. Biol., 3(4), 373, 1999.
5. Kerns, E.H., High throughput physicochemical profiling for drug discovery, J. Pharm. Sci., 90(11), 1838, 2001.
6. Frenette, R. et al. Substituted 4-(2,2-diphenylethyl)pyridine-N-oxides as phosphodiesterase-4 inhibitors: SAR study directed toward the improvement of pharmacokinetic parameters, Bioorg. Med. Chem. Lett., 12(20), 3009, 2002.
7. Wyatt, P.G. et al. structure-activity relationship investigations of a potent and selective benzodiazepine oxytocin antagonist, Bioorg. Med. Chem. Lett., 11(10), 1301, 2001.
8. Caldwell, G.W., Compound optimization in early- and late-phase drug discovery: acceptable pharmacokinetic properties utilizing combined physicochemical, in vitro and in vivo screens, Curr. Opin. Drug Discov., 3(1), 30, 2000.
9. Sinko, P.J., Drug selection in early drug development: screening for acceptable pharmacokinetic properties using combined in vitro and computational approaches, Curr. Opin. Drug Discov. Devel., 2(1), 42, 1999.
10. Obach, R.S., 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(11), 1350, 1999.
11. Thompson, T.N., Early ADME in support of drug discovery: the role of metabolic stability studies, Curr. Drug Metab., 1(3), 215, 2000.
12. Rossi, D.T. and Sinz, M., Mass Spectrometry in Drug Discovery. Marcel Dekker, Inc., New York, 2002.
13. Ackermann, B.L., Berna, M.J., and Murphy, A.T., Recent advances in use of LC/MS/MS for quantitative high-throughput bioanalytical support of drug discovery, Curr. Top. Med. Chem., 2(1), 53, 2002.
14. Rodrigues, A.D. and Lin, J.H., Screening of drug candidates for their drug-drug interaction potential, Curr. Opin. Chem. Biol., 5(4), 396, 2001.
15. Li, Y. et al. Increasing the throughput and productivity of Caco-2 cell permeability assays using liquid chromatography-mass spectrometry: application to resvera-trol absorption and metabolism, Comb. Chem. High Throughput Screen., 6(8), 757, 2003.
16. Korfmacher, W.A. et al. HPLC-API/MS/MS: a powerful tool for integrating drug metabolism into the drug discovery process, Drug Discov. Today, 2, 532, 1997.
17. Eddershaw, P.J. and Dickins, M., Advances in drug metabolism screening, Pharm. Sci. Technol. Today., 2(1), 13, 1999.
18. Weiss, A.J., Performing ADME earlier—a way to gain speed and productivity. Business Briefing: Future Drug Discovery 2003. http://www.bbriefings.com/pdf/16/fdd031_t_Millipor.pdf.
19. Kariv, I., Cao, H., and Oldenburg, K.R., Development of a high throughput equilibrium dialysis method, J. Pharm. Sci., 90(5), 580, 2001.
20. Qian, M.J. et al. A fast screening method to measure equilibrium solubility in early drug discovery process, in AAPS Annual Meeting and Exposition, Denver, CO, 2001, AAPS.
21. Wilson, D.M. et al. High throughput log D determination using liquid chromatography-mass spectrometry, Comb. Chem. High Throughput Screen., 4(6), 511, 2001.
22. Ayrton, J. et al. Optimisation and routine use of generic ultra-high flow-rate liquid chromatography with mass spectrometric detection for the direct on-line analysis of pharmaceuticals in plasma, J. Chromatogr. A, 828(1-2), 199, 1998.
23. Scott, R.J. et al. Determination of a ‘GW cocktail’ of cytochrome P450 probe substrates and their metabolites in plasma and urine using automated solid phase extraction and fast gradient liquid chromatography tandem mass spectrometry, Rapid Commun. Mass Spectrom., 13(23), 2305, 1999.
24. van de Merbel, N.C. and Poelman, H., Experiences with monolithic LC phases in quantitative bioanalysis, J. Pharm. Biomed. Anal., 33(3), 495, 2003.
25. Whitney, J.L., Hail, M.E., and Detlefsen, D.J., Automated metabolite confirmation using data-dependent LC/MS and intelligent chemometrics, in 50th ASMS Conference on Mass Spectrometry and Allied Topics, Orlando, FL, 2002, ASMS.
26. Williams, A., Applications of computer software for the interpretation and management of mass spectrometry data in pharmaceutical science, Curr. Topics Med. Chem, 2(1), 99, 2002.
27. Korfmacher, W.A. et al. Development of an automated mass spectrometry system for the quantitative analysis of liver microsomal incubation samples: a tool for rapid screening of new compounds for metabolic stability, Rapid Commun. Mass Spectrom., 13(10), 901, 1999.
28. Shaffer, J.E. et al. Use of ‘N-in-one’ dosing to create an in vivo pharmacokinetics database for use in developing structure-pharmacokinetic relationships, J. Pharm. Sci., 88(3), 313, 1999.
29. Olah, T.V., McLoughlin, D.A., and Gilbert, J.D., 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 Commun. Mass Spectrom., 11(1), 17, 1997.
30. Stevenson, C.L., Augustijns, P.F., and Hendren, R.W., Use of Caco-2 cells and LC/MS/MS to screen a peptide combinatorial library for permeable structures, Int. J. Pharm, 177(1), 103, 1999.
31. White, R.E. and Manitpisitkul, P., Pharmacokinetic theory of cassette dosing in drug discovery screening, Drug Metab. Dispos., 29(7), 957, 2001.
32. Korfmacher, W.A. et al. Cassette-accelerated rapid rat screen: a systematic procedure for the dosing and liquid chromatography/atmospheric pressure ionization tandem mass spectrometric analysis of new chemical entities as part of new drug discovery, Rapid Commun. Mass Spectrom., 15(5), 335, 2001.
33. Wu, J.T., The development of a staggered parallel separation liquid chromatography/tandem mass spectrometry system with on-line extraction for high-throughout screening of drug candidates in biological fluids, Rapid Commun. Mass Spectrom., 15(2), 73, 2001.
34. Janiszewski, J.S. et al. A high-capacity LC/MS system for the bioanalysis of samples generated from plate-based metabolic screening, Anal. Chem., 73(7), 1495, 2001.
35. Bronstrup, M., High-throughput mass spectrometry for compound characterization in drug discovery, Topics in Curr. Chem., 225, 283, 2003.
36. Hiller, D.L. et al. Application of a non-indexed dual sprayer pneumatically assisted electrospray source to the high throughput quantitation of target compounds in biological fluids, Rapid Commun. Mass Spectrom., 14(21), 2034, 2000.
37. Xu, R. et al. Application of parallel liquid chromatography/mass spectrometry for high throughput microsomal stability screening of compound libraries, J. Am. Soc. Mass Spectrom., 13(2), 155, 2002.
38. Korfmacher, W.A. et al. Demonstration of the capabilities of a parallel high performance liquid chromatography tandem mass spectrometry system for use in the analysis of drug discovery plasma samples, Rapid Commun. Mass Spectrom., 13(20), 1991, 1999.
39. Hiller, D.L. et al. High throughput quantitation using indexed multiprobe electrospray technology in support of drug discovery, in 48th ASMS Conference on Mass Spectrometry and Allied Topics, Long Beach, CA, 2000, ASMS.
40. Bayliss, M.K. et al. Parallel ultra-high flow rate liquid chromatography with mass spectrometric detection using a multiplex electrospray source for direct, sensitive determination of pharmaceuticals in plasma at extremely high throughput, Rapid Commun. Mass Spectrom., 14(21), 2039, 2000.
41. Yang, L. et al. Evaluation of a four-channel multiplexed electrospray triple quadrupole mass spectrometer for the simultaneous validation of LC/MS/MS methods in four different preclinical matrixes, Anal. Chem., 73(8), 1740, 2001.
42. Jenkins, K.M. et al. High throughput cytochrome P450 inhibition assays using parallel LC/MS technologies. In: 48th ASMS Conference on Mass Spectrometry and Allied Topics, Long Beach, CA, 2000. ASMS.
43. Kantharaj, E. et al. Simultaneous measurement of drug metabolic stability and identification of metabolites using ion-trap mass spectrometry, Rapid Commun. Mass Spectrom., 17(23), 2661, 2003.
44. Xu, R. et al. A fully automated system for metabolic stability and metabolite ID measurements, in 51st ASMS Conference on Mass Spectrometry and Allied Topics, Montreal, Canada, 2003, ASMS.
45. Detlefsen, D.J. et al. A total analysis solution for metabolic stability and detailed metabolite profiling, in 51st ASMS Conference on Mass Spectrometry and Allied Topics, Montreal, Canada, 2003, ASMS.
46. Eddershaw, P.J., Beresford, A.P., and Bayliss, M.K., ADME/PK as part of a rational approach to drug discovery, Drug Discov. Today., 5(9), 409, 2000.