Automated nano-electrospray mass spectrometry for protein-ligand screening by noncovalent interaction applied to human H-FABP and A-FABP

Journal of Biomolecular Screening

Volumn 8, Issue 3, 2003, Pages 247-256

  Benkestock, Kurt ^a,f   Van Pelt, Colleen K ^d   Åkerud, Tomas ^b,g   Sterling, Alistair ^e   Edlund, Per Olof ^c   Roeraade, Johan ^f  

^a Biovitrum AB   (Sweden)

^b Structural Chemistry   (Sweden)

^c Biovitrum AB   (Sweden)

^d Advion BioSciences Inc   (United States)

^e Advion BioSciences Ltd UK   (United Kingdom)

^f ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^g LUND UNIVERSITY   (Sweden)

Author keywords

Automated nano electrospray; FABP; Noncovalent; Screening

Indexed keywords

FATTY ACID BINDING PROTEIN; LIGAND; PROTEIN; CARRIER PROTEIN; FABP7 PROTEIN, HUMAN; FATTY ACID; TUMOR PROTEIN; TUMOR SUPPRESSOR PROTEIN; WATER;

ADIPOSE TISSUE; ARTICLE; AUTOMATION; ELECTROSPRAY MASS SPECTROMETRY; HEART; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN EXPRESSION; PROTEIN INTERACTION; PROTEIN PURIFICATION; REPRODUCIBILITY; SCREENING; ADIPOCYTE; BINDING SITE; CHEMISTRY; DIAGNOSIS, MEASUREMENT AND ANALYSIS; HEART MUSCLE; HUMAN; MASS SCREENING; MASS SPECTROMETRY; METABOLISM; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; TEMPERATURE;

ADIPOCYTES; BINDING SITES; CARRIER PROTEINS; FATTY ACID-BINDING PROTEINS; FATTY ACIDS; HUMANS; LABORATORY TECHNIQUES AND PROCEDURES; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MASS SCREENING; MASS SPECTROMETRY; MYOCARDIUM; NEOPLASM PROTEINS; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; TEMPERATURE; TUMOR SUPPRESSOR PROTEINS; WATER;

EID: 0038550485     PISSN: 10870571     EISSN: None     Source Type: Journal    
DOI: 10.1177/1087057103008003002     Document Type: Article

References (32)

1. Westerfeld JG: Detection trends in high throughput screening. Anal Bioanal Chem 2002;372:43.
2. Goodnow RA Jr: Current practices in generation of small molecule new leads. J Cell Biochem Suppl 2001;37:13-21.
3. Wilm MS, Mann M: Electrospray and Taylor-cone theory, Doles beam of macromolecules at last. Int J Mass Spectrom Ion Processes 1994;136:167-180.
4. Rogniaux H, Van Dorsselaer A, Barth P, Biellmann JF, Barbanton J, van Zandt M, et al: Binding of aldose reductase inhibitors: correlation of crystallographic and mass spectrometric studies. J Am Soc Mass Spectrom 1999;10:635-647.
5. Ganem B, Li YT, Henion JD: Detecting of noncovalent receptor-ligand complexes by mass spectrometry. J Am Chem Soc 1991;113:6294-6296.
6. Smith RD, Light-Wahl KJ: The observation of non-covalent interactions in solution by electrospray ionization mass spectrometry: promise, pitfalls and prognosis. Biol Mass Spectrom 1993;22:493-501.
7. Nesatyy VJ: Mass spectrometry evaluation of the solution and gas-phase binding properties of noncovalent protein complexes. Int J Mass Spectrom 2002;221:147-161.
8. Gabelica V, Vreuls C, Filée P, Duval V, Joris B, De Pauw EJ: Advantages and drawbacks of nanospray for studying noncovalent protein-DNA complexes by mass spectrometry. Rapid Commun Mass Spectrom 2002;16:1723-1728.
9. Siegel MM: Early discovery drug screening using mass spectrometry. Curr Topics Med Chem 2002;2:13-33.
10. Sannes-Lowery KA, Drader JJ, Griffey RH, Hofstadler SA: Fourier transform ion cyclotron resonance mass spectrometry as a high throughput affinity screen to identify RNA binding ligands. Trends Anal Chem 2000;19:481-491.
11. Wigger M, Eyler JR, Benner SA, Li W, Marshall AG: Fourier transform-ion cyclotron resonance mass spectrometric resolution, identification, and screening of non-covalent complexes of Hck Src homology 2 domain receptor and ligands from a 324-member peptide combinatorial library. J Am Soc Mass Spectrom 2002;13:1162-1169.
12. Lyubarskaya YV, Carr SA, Dunnington D, Prichett WP, Fisher SM, Appelbaum ER, et al: Screening for high-affinity ligands to the Src SH2 domain using capillary isoelectric focusing-electrospray ionization ion trap mass spectrometry. Anal Chem 1998;70:4761-4770.
13. Greig MJ, Robinson JM: Detection of oligonucleotide-ligand complexes by ESI-MS (DOLCE-MS) as a component of high throughput screening. J Biomol Screen 2002;5:441-454.
14. Jiang Y, Wang PC, Locascio LE, Lee CS: Integrated plastic microfluidic devices with ESI-MS for drug screening and residue analysis. Anal Chem 2001;73:2048-2053.
15. Hayasaka Y, Asenstorfer REJ: Screening for potential pigments derived from anthocyanins in red wine using nanoelectrospray tandem mass spectrometry. Agric Food Chem 2002;50:756-761.
16. Glatz JF, van der Vusse GJ: Cellular fatty acid-binding proteins: their function and physiological significance. Prog Lipid Res 1996;35:243-282.
17. Hotamisligil GS, Johnson RS, Distel RJ, Ellis R, Papaioannou VE, Spiegelman BM: Uncoupling of obesity from insulin resistance through a targeted mutation in aP2, the adipocyte fatty acid binding protein. Science 1996;274:1377-1379.
18. Zimmerman AW, Veerkamp JH: New insights into the structure and function of fatty acid-binding proteins. Cell Mol Life Sci 2002;59:1096-1116.
19. Tahallah N, Pinkse M, Maier CS, Heck AJR: The effect of the source pressure on the abundance of ions of noncovalent protein assemblies in an electrospray ionization orthogonal time-of-flight instrument. Rapid Commun Mass Spectrom 2001;15:596-601.
20. Benkestock K, Edlund PO, Roeraade J: On-line microdialysis for enhanced resolution and sensitivity during electrospray mass spectrometry of non-covalent complexes and competitive binding studies. Rapid Commun Mass Spectrom 2002;16:2054-2059.
21. Constantine KL, Friedrichs MS, Wittekind M, Jamil H, Chu CH, Parker RA, et al: Backbone and side chain dynamics of uncomplexed human adipocyte and muscle fatty acid-binding proteins. Biochem 1998;37:7965-7980.
22. Schnutgen F, Borchers T, Muller T, Spener F: Heterologous expression and characterisation of mouse brain fatty acid binding protein. Biol Chem Hoppe-Seyfer 1996;377:211-215.
23. van Dongen MJP, Uppenberg J, Svensson S, Lundbäck T, Åkerud T, Wikström M, et al: Structure-based screening as applied to human FABP4: a highly efficient alternative to HTS for hit generation. J Am Chem Soc 2002;124:11874-11880.
24. Diercks T, Coles M, Kessler H: Applications of NMR in drug discovery. Curr Opin Chem Biol 2001;5:285-291.
25. Hajduk PJ, Gerfin T, Boehlen JM, Haberli M, Marek D, Fesik SW: High-throughput nuclear magnetic resonance-based screening. J Med Chem 1999;42:2315-2317.
26. Robinson CV, Chung EW, Kragelund BB, Knudsen J, Aplin RT, Poulsen FM, et al: Probing the nature of noncovalent interactions by mass spectrometry: a study of protein-CoA ligand binding and assembly. J Am Chem Soc 1996;118:8646-8653.
27. Van Pelt CK, Zhang S, Henion JD: Characterization of a fully automated nanoelectrospray system with mass spectrometeric detection for proteomic analyses. J Biomol Techn 2002;13:72-84.
28. Daniel JM, Friess SD, Rajagopalan S, Wendt S, Zenobi R: Quantitative determination of noncovalent binding interactions using soft ionization mass spectrometry. Int J Mass Spectrom 2002;216:1-27.
29. van Breemen RB, Huang CR, Nikolic D, Woodbury CP, Zhao YZ, Venton DL: Pulsed ultrafiltration mass spectrometry: a new method for screening combinatorial libraries. Anal Chem 1997;69:2159-2164.
30. Liu C, Wu Q, Harms AC, Smith RD: On-line microdialysis sample cleanup for electrospray ionization mass spectrometry of nucleic acid samples. Anal Chem 1996;68:3295-3299.
31. Jorgensen TJD, Hvelplund P, Andersen JU, Roepstorff P: Tandem mass spectrometry of specific vs. nonspecific noncovalent complexes of vancomycin antibiotics and peptide ligands. Int J Mass Spectrom 2002;219:659-670.
32. Zimmerman AW, van Moerkerk HT, Veerkamp JH: Ligand specificity and conformational stability of human fatty acid-binding proteins. Int J Biochem Cell Biol 2001;33:865-876.