Throughput and Efficiency of a Mass Spectrometry-Based Screening Assay for Protein-Ligand Binding Detection

Journal of the American Society for Mass Spectrometry

Volumn 19, Issue 9, 2008, Pages 1303-1311

  Hopper, Erin D ^a   Roulhac, Petra L ^a   Campa, Michael J ^b   Patz Jr , Edward F ^b   Fitzgerald, Michael C ^a  

^a DUKE UNIVERSITY   (United States)

^b DUKE UNIVERSITY MEDICAL CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; BIOCHEMISTRY; HEALTH; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; LASER DIAGNOSTICS; MASS SPECTROMETERS; MASS SPECTROMETRY; SPECTROMETERS; SPECTROMETRY; SPECTRUM ANALYSIS; THERMODYNAMIC STABILITY; THROUGHPUT; TURBULENT FLOW;

AMIDE PROTONS; BACK EXCHANGE; BLIND CONTROL; CHEMICAL LIBRARIES; CONTROL DATA; CYCLOPHILIN; CYCLOPHILIN A; CYCLOSPORIN A; FALSE NEGATIVES; FALSE POSITIVE; FALSE POSITIVE RATE; H/D EXCHANGE; LIBRARY SCREENING; LIGAND-BINDING; LUNG CANCERS; MALDI-MASS SPECTROMETRY; NEW STRATEGY; NOVEL LIGANDS; SCREENING APPLICATIONS; SCREENING ASSAYS; SELECTION STRATEGIES;

LIGANDS;

CYCLOSPORIN A; CYTOCHROME A;

ARTICLE; CONTROLLED STUDY; HIGH THROUGHPUT SCREENING; HUMAN; LIGAND BINDING; MATRIX ASSISTED LASER DESORPTION IONIZATION TIME OF FLIGHT MASS SPECTROMETRY; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN STABILITY;

BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; CYCLOPHILIN A; CYCLOSPORINE; DEUTERIUM; DEUTERIUM EXCHANGE MEASUREMENT; HUMANS; IMMUNOSUPPRESSIVE AGENTS; LIGANDS; PREDICTIVE VALUE OF TESTS; PROTEIN BINDING; SPECTROMETRY, MASS, MATRIX-ASSISTED LASER DESORPTION-IONIZATION;

EID: 50849112384     PISSN: 10440305     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jasms.2008.06.007     Document Type: Article

References (29)

1. Papac D.I., and Shahrokh Z. Mass Spectrometry Innovations in Drug Discovery and Development. Pharm. Res 18 (2001) 131-145
2. Shin Y.G., and van Breemen R.B. Analysis and Screening of Combinatorial Libraries Using Mass Spectrometry. Biopharm. Drug Dispos 22 (2001) 353-372
3. Sussmuth R.D., and Jung G. Impact of Mass Spectrometry on Combinatorial Chemistry. J. Chromatogr. B 725 (1999) 49-65
4. Ghaemmaghami S., Fitzgerald M.C., and Oas T.G.A. Quantitative, High-Throughput Screen for Protein Stability. Proc. Natl. Acad. Sci. U.S.A 97 (2000) 8296-8301
5. Ma L.Y., and Fitzgerald M.C. A New H/D Exchange- and Mass Spectrometry-Based Method for Thermodynamic Analysis of Protein-DNA Interactions. Chem. Biol 10 (2003) 1205-1213
6. Powell K.D., and Fitzgerald M.C. Accuracy and Precision of a New H/D Exchange- and Mass Spectrometry-Based Technique for Measuring the Thermodynamic Properties of Protein-Peptide Complexes. Biochemistry 42 (2003) 4962-4970
7. Powell K.D., Ghaemmaghami S., Wang M.Z., Ma L., Oas T.G., and Fitzgerald M.C. A General Mass Spectrometry-Based Assay for the Quantitation of Protein-ligand Binding Interactions in Solution. J. Am. Chem. Soc 124 (2002) 10256-10257
8. Powell K.D., Wang M.Z., Silinski P., Ma L., Wales T.E., Dai S.Y., Warner A.H., Yang X., and Fitzgerald M.C. The Accuracy and Precision of a New H/D Exchange- and Mass Spectrometry-Based Technique for Measuring the Thermodynamic Stability of Proteins. Anal. Chim. Acta 496 (2003) 225-232
9. Tang L., Hopper E.D., Tong Y., Sadowsky J.D., Peterson K.J., Gellman S.H., and Fitzgerald M.C. H/D Exchange- and Mass Spectrometry-Based Strategy for the Thermodynamic Analysis of Protein-ligand Binding. Anal. Chem 79 (2007) 5869-5877
10. Powell K.D., and Fitzgerald M.C. High-Throughput Screening Assay for the Tunable Selection of Protein Ligands. J. Combinat. Chem 6 (2004) 262-269
11. Campa J., Wang M.Z., Howard B., Fitzgerald M.C., and Patz E.F. Protein Expression Profiling Identifies Macrophage Migration Inhibitory Factor and CyclophilinA as Potential Molecular Targets in Non-small Cell Lung Cancer. Cancer Res 63 (2003) 1652-1656
12. Howard B.A., Furumai R., Campa M.J., Rabbani Z.N., Vujaskovik Z., Wang X.F., and Patz E.F. Stable RNA Interference-Mediated Suppression of Cyclophilin A Diminishes Non-Small-Cell Lung Tumor Growth in Vivo. Cancer Res 65 (2005) 8853-8860
13. Handschumacher R.E., Harding M.W., Rice J., and Drugge R.J. Cyclophilin: A Specific Cytosolic Binding-Protein for Cyclosporin A. Science 226 (1984) 544-547
14. Harding M.W., and Handschumacher R.E. Cyclophilin, a Primary Molecular Target for Cyclosporine-Structural and Functional Implications. Transplantation 46 (1988) S29-S35
15. Holzman T.F., Egan D.A., Edalji R., Simmer R.L., Helfrich R., Taylor A., and Burres N.S. Preliminary Characterization of a Cloned Neutral Isoelectric form of the Human Peptidyl Prolyl Isomerase Cyclophilin. J. Biol. Chem 266 (1991) 2474-2479
16. Liu J., Albers M.W., Chen C.M., Schreiber S.L., and Walsh C.T. Cloning, Expression, and Purification of Human Cyclophilin in Escherichia coli and Assessment of the Catalytic Role of Cysteines by Site-Directed Mutagenesis. Proc. Natl. Acad. Sci. U.S.A 87 (1990) 2304-2308
17. Wang M.Z., Shetty J.T., Howard B.A., Campa M.J., Patz E.F., and Fitzgerald M.C. Thermodynamic Analysis of Cyclosporin A Binding to Cyclophilin A in a Lung Tumor Tissue Lysate. Anal. Chem 76 (2004) 4343-4348
18. Taylor D.M. Radioiodinated Cyclosporin A: Preparation and Biodistribution. Int. J. Appl. Radiat. Isot 31 (1980) 192-193
19. Bai Y.W., Milne J.S., Mayne L., and Englander S.W. Primary Structure Effects on Peptide Group Hydrogen-Exchange. Prot. Struct. Funct. Genet 17 (1993) 75-86
20. Zhang, Y. Z. Structural Biology and Molecular Biophysics; Ph.D. Thesis, University of Pennsylvania, 1995.
21. Schellman J.A. Macromolecular Binding. Biopolymers 14 (1975) 999-1018
22. Glasoe P.K., and Long F.A. Use of Glass Electrodes to Measure Acidities in Deuterium Oxide. J. Phys. Chem 64 (1960) 188-190
23. Nozaki Y. The Preparation of Guanidine Hydrochloride. Methods Enzymol 26 (1972) 43-50
24. Zhang J.H., Chung T.D.Y., and Oldenburg K.R. A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays. J. Biomol. Screen 4 (1999) 67-73
25. Powell K.D., and Fitzgerald M.C. Measurements of Protein Stability by H/D Exchange and Matrix-Assisted Laser Desorption Ionization Mass Spectrometry Using Picomoles of Material. Anal. Chem 73 (2001) 3300-3304
26. Hann M.M., and Oprea T.I. Pursuing the Leadlikeness Concept in Pharmaceutical Research. Curr. Opin. Chem. Biol 8 (2004) 255-263
27. Oprea T.I. Current Trends in Lead Discovery: Are We Looking for the Appropriate Properties?. J. Comput. Aided Mol. Des 16 (2002) 325-334
28. Zhang J.-H., Wu X., and Sills M.A. Probing the Primary Screening Efficiency by Multiple Replicate Testing: A Quantitative Analysis of Hit Confirmation and False Screening Results of a Biochemical Assay. J. Biomol. Screen 10 (2005) 695-704
29. Tang L., Roulhac P.L., and Fitzgerald M.C. H/D Exchange and Mass Spectrometry-Based Method for Biophysical Analysis of Multidomain Proteins at the Domain Level. Anal. Chem 79 (2007) 8728-8739