Immunosuppressive small molecule discovered by structure-based virtual screening for inhibitors of protein-protein interactions

Angewandte Chemie - International Edition

Volumn 51, Issue 1, 2012, Pages 258-261

  Geppert, Tim ^a   Bauer, Stefanie ^b   Hiss, Jan A ^a   Conrad, Elea ^b   Reutlinger, Michael ^a   Schneider, Petra ^a   Weisel, Martin ^c   Pfeiffer, Bernhard ^a   Altmann, Karl Heinz ^a   Waibler, Zoe ^b   Schneider, Gisbert ^a  

^a ETH ZURICH   (Switzerland)

^b PAUL EHRLICH INSTITUT   (Germany)

^c GOETHE UNIVERSITY   (Germany)

Author keywords

bioinformatics; drug design; interferon; protein protein interactions; virtual screening

Indexed keywords

DIRECT INTERACTIONS; DRUG DESIGN; IN-VITRO; LOW MOLECULAR WEIGHT; PROTEIN-PROTEIN INTERACTIONS; SMALL MOLECULES; STRUCTURE-BASED; VIRTUAL SCREENING;

ANTIBIOTICS; BIOINFORMATICS; GLYCOPROTEINS; LEAD COMPOUNDS;

PROTEINS;

ALPHA BETA INTERFERON RECEPTOR; ALPHA INTERFERON; IMMUNOSUPPRESSIVE AGENT;

ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; HYDROGEN BOND; METABOLISM; MOLECULAR LIBRARY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN PROTEIN INTERACTION; PROTEIN TERTIARY STRUCTURE; SURFACE PLASMON RESONANCE; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; HYDROGEN BONDING; IMMUNOSUPPRESSIVE AGENTS; INTERFERON-ALPHA; MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN INTERACTION MAPS; PROTEIN STRUCTURE, TERTIARY; RECEPTOR, INTERFERON ALPHA-BETA; SMALL MOLECULE LIBRARIES; SURFACE PLASMON RESONANCE;

EID: 84855271368     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201105901     Document Type: Article

References (39)

1. L. Malmgaard, J. Interferon Cytokine Res. 2004, 24, 439-454.
2. A. Le Bon, D. F. Tough, Cytokine Growth Factor Rev. 2008, 19, 33-40.
3. M. Swiecki, M. Colonna, Immunol. Rev. 2010, 234, 142-162.
4. K. E. Mogensen, M. Lewerenz, J. Reboul, G. Lutfalla, G. Uzé, J. Interferon Cytokine Res. 1999, 19, 1069-1098.
5. D. Finke, M. L. Eloranta, L. Rönnblom, Autoimmunity 2009, 42, 349-352.
6. L. E. Wilson, D. Widman, S. H. Dikman, P. D. Gorevic, Semin. Arthritis Rheum. 2002, 32, 163-173.
7. D. Hober, P. Sauter, Nat. Rev. Endocrinol. 2010, 6, 279-289
8. C. Selmi, A. Lleo, M. Zuin, M. Podda, L. Rossaro, M. E. Gershwin, Curr. Opin. Invest. Drugs 2006, 7, 451-456.
9. A. Dömling, Curr. Opin. Chem. Biol. 2008, 12, 281-291
10. T. Berg, Curr. Opin. Drug Discov. Devel. 2008, 11, 666-674
11. D. González-Ruiz, H. Gohlke, Curr. Med. Chem. 2006, 13, 2607-2625.
12. W. Klaus, B. Gsell, A. M. Labhardt, B. Wipf, H. Senn, J. Mol. Biol. 1997, 274, 661-675.
13. S. R. Quadt-Akabayov, J. H. Chill, R. Levy, N. Kessler, J. Anglister, Protein Sci. 2006, 15, 2656-2668.
14. H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov, P. E. Bourne, Nucleic Acids Res. 2000, 28, 235-242.
15. F. P. Davis, A. Sali, PLoS Comput. Biol. 2010, 6, e 1000668.
16. R. Najmanovich, J. Kuttner, V. Sobolev, M. Edelman, Proteins Struct. Funct. Genet. 2000, 39, 261-268.
17. M. Weisel, E. Proschak, G. Schneider, Chem. Cent. J. 2007, 1, 7.
18. T. Geppert, B. Hoy, S. Wessler, G. Schneider, Chem. Biol. 2011, 18, 344-353.
19. J. Piehler, G. Schreiber, J. Mol. Biol. 1999, 289, 57-67.
20. J. Piehler, G. Schreiber, J. Mol. Biol. 1999, 294, 223-237.
21. M. Löwer, T. Geppert, P. Schneider, B. Hoy, S. Wessler, G. Schneider, PLoS One 2011, 6, e 17986
22. A. Klenner, M. Hartenfeller, P. Schneider, G. Schneider, Drug Discovery Today Technol. 2010, 7, e 237 -e 244.
23. G. Jones, P. Willett, R. C. Glen, J. Mol. Biol. 1995, 245, 43-53.
24. Z. Waibler, M. Anzaghe, H. Ludwig, S. Akira, S. Weiss, G. Sutter, U. Kalinke, J. Virol. 2007, 81, 12102-12110.
25. Z. Waibler, M. Anzaghe, A. Konur, S. Akira, W. Müller, U. Kalinke, Eur. J. Immunol. 2008, 38, 3127-3137.
26. G. Kochs, S. Bauer, C. Vogt, T. Frenz, J. Tschopp, U. Kalinke, Z. Waibler, J. Virol. 2010, 84, 12344-12350.
27. Z. Waibler, C. N. Detje, J. C. Bell, U. Kalinke, Immunobiology 2008, 212, 887-894.
28. M. Mayer, B. Meyer, Angew. Chem. 1999, 111, 1902-1906
29. Angew. Chem. Int. Ed. 1999, 38, 1784-1788.
30. H. Raether, E. Kretschmann, Z. Naturforsch. A 1968, 23, 2135-2136
31. Surface Plasmon Resonance (Eds.:, N. J. de Mol, M. J. E. Fischer,), Humana Press, New York, 2010.
32. A. L. Hopkins, C. R. Groom, A. Alex, Drug Discovery Today 2004, 9, 430-431
33. C. W. Murray, T. L. Blundell, Curr. Opin. Struct. Biol. 2010, 20, 497-507
34. E. Feyfant, J. B. Cross, K. Paris, D. H. Tsao, Methods Mol. Biol. 2011, 685, 241-252
35. M. Hartenfeller, G. Schneider, Wiley Interdiscip. Rev. Comput. Mol. Sci. 2011, 1, 742-759.
36. N. Tuncbag, O. Keskin, A. Gursoy, Nucleic Acids Res. 2010, 38, W 402 -W 406
37. L. M. Meireles, A. S. Dömling, C. J. Camacho, Nucleic Acids Res. 2010, 38, W 407 -W 411
38. A. Shulman-Peleg, M. Shatsky, R. Nussinov, H. J. Wolfson, BMC Biol. 2007, 5, 43.
39. C. Thomas, I. Moraga, D. Levin, P. O. Krutzik, Y. Podoplelova, A. Trejo, C. Lee, G. Yarden, S. E. Vleck, J. S. Glenn, G. P. Nolan, J. Piehler, G. Schreiber, K. C. Garcia, Cell 2011, 146, 621-632.