Drug discovery mass spectrometry

As with many areas of drug discovery, mass spectrometry has become intertwined with combinatorial chemistry, especially in the areas of library characterization and screening. Some future advances in mass spectrometry will be driven by the needs of combinatorial chemistry, and mass spectrometry will, to some extent, regulate the progress in combinatorial chemistry. 

Jackson, R.C. Update on computer-aided drug design. Curr. Opin. Biotechnol. 1995, 6, 646—651. Geoghegan, K.F. Kelly, M.A. Biochemical applications of mass spectrometry in pharmaceutical drug discovery. Mass Spectrom. Rev. 2005, 24, 347-366. 

Bray KL (2001) High Pressure Probes of Electronic Structure and Luminescence Properties of Transition Metal and Lanthanide Systems. 213 1-94 Bronstein LM (2003) Nanoparticles Made in Mesoporous Solids. 226 55-89 Bronstrup M (2003) High Throughput Mass Spectrometry for Compound Characterization in Drug Discovery. 225 275-294... 

Chovan, L.E. et al. 2004. Automatic mass spectrometry method development for drug discovery Application in metabolic stability assays. Rapid Commun. Mass Spectrom. 18 3105. 

Beaudry F. et al., 1998. In vivo pharmacokinetic screening in cassette dosing experiments Use of online Pros-pekt liquid chromatography/atmospheric pressure chemical ionization tandem mass spectrometry technology in drug discovery. Rapid Commun Mass Spectrom 12 1216. 

Hsieh Y. et al., 2000. Direct analysis of plasma samples for drug discovery compounds using mixed-function column liquid chromatography tandem mass spectrometry. Rapid Commun Mass Spectrom 14 1384. 

Thomas, S.R. and Gerhard, U. (2004) Open-access high-resolution mass spectrometry in early drug discovery. Journal of Mass Spectrometry, 39, 942-948. 

D.T. Rossi and M.W. Sinz (Eds.), Mass Spectrometry in Drug Discovery, Marcel Dekker, Inc., New York, 2002. 

Glish, G.L. Vachet, R.W. The Basics of Mass Spectrometry in riie Twenty-First C tury. Nat. Rev. Drug Discovery 2003, 2, 140-150. 

Mass Spectrometry in Drug Discovery Rossi, D.T. Sinz, M.W., editors Marcel Dekker New York, 2002. 

Zhao, Y., Woo, G, Thomas, S., Semin, D., Sandra, P. Rapid method development for chiral separation in drug discovery using sample pooling and supercritical fluid chromatography-mass spectrometry. J. Chromatogr. A 2003, 1003, 157-166. 

Jackson, M. R., Balogh, M. P. and Potts, W. B., An Interactive Physiochemical Property Profiling Software for Early Candidate Analysis in Drug Discovery, American Society for Mass Spectrometry 2003 Conference Abstract, Montreal, Canada, 2003. 

Rourick, R. A., Jenkins, K. M., Walsh, J., Xu, R., Cai, Z. and Kassel, D. B., Integration of Custom LC/MS Automated Data Processing Strategies for the Rapid Assessment of Metabolic Stability and Metabolic Identification in Drug Discovery, American Society for Mass Spectrometry 2002 Conference Abstract, Orlando, FL, USA, 2002. 

Cox, K., Clarke, N., Dunn-Meynell, K., Korfmacher, W., Lin, C. C., White, R. and Cayen, M., Use of the Q-Tof, LCQ and Triple Quadrupole Mass Spectrometers for Metabolite ID in Support of Drug Discovery, American Society for Mass Spectrometry 1999 Conference Abstract, Dallas, TX, USA, 1999. 

Rindgen, D., Cox, K., Clarke, N. and Korfmacher, W., An Integrated Approach to Metabolite Identification for the Drug Discovery Compound SCH 123 using the Triple Quadrupole, Ion Trap and Q-TOF Instruments, American Society for Mass Spectrometry 2000 Conference Abstract, Long Beach, CA, USA, 2000. 

Cai, Y, Kingery, D., McConnell, O., and Bach, A. C., II. (2005). Advantages of atmospheric pressure photoionization mass spectrometry in support of drug discovery. Rapid Commun. Mass Spectrom. 19, 1717—1724. 

Servais, A. C., Crommen, J., and Fillet, M. (2006). Capillary electrophoresis-mass spectrometry, an attractive tool for drug bioanalysis and biomarker discovery. Electrophoresis 27, 2616—2629. 

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