Molecular modeling of the inhibition of protein-protein interactions with small molecules: The IL2-IL2Rα case

Chemical Physics Letters

Volumn 517, Issue 4-6, 2011, Pages 217-222

  Pieraccini, Stefano ^a   De Gonda, Riccardo ^a   Sironi, Maurizio ^a,b  

^a UNIVERSITY OF MILAN   (Italy)

^b CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX FORMATIONS; CONTACT SURFACE; DESIGN PROCESS; MEDICINAL CHEMISTRY; PROTEIN BINDING; PROTEIN COMPLEXES; PROTEIN-PROTEIN INTERACTIONS; SMALL MOLECULE INHIBITOR; SMALL MOLECULES;

AMINO ACIDS; BINDING SITES; DRUG INTERACTIONS; MOLECULES;

PROTEINS;

EID: 82455164119     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.10.044     Document Type: Article

References (33)

1. M.R. Arkin, and J.A. Wells Nat. Rev. Drug Discov. 3 2004 301
2. P. Chne ChemMedChem 1 2006 400
3. J.A. Wells, and C.L. McClendon Nature 450 2007 1001
4. O. Keskin, M. Buyong, and R. Nussinov J. Mol. Biol. 345 2005 1281
5. I.S. Moreira, P.A. Fernandes, and M.J. Ramos Proteins: Struct. Funct. Bioinf. 68 2007 803
6. M. Rickert, M.J. Boulanger, N. Goriatcheva, and K.C. Garcia Science 308 2005 1477
7. S.L. Gaffen, and K.D. Liu Cytokine 28 2004 109
8. M. Rickert, M.J. Boulanger, N. Goriatcheva, and K.C. Garcia J. Mol. Biol. 339 2004 1115
9. M.R. Arkin Proc. Nat. Acad. Sci. USA 100 2003 1603
10. C.D. Thanos, W.L. DeLano, and J.A. Wells Proc. Nat. Acad. Sci. USA 103 2006 15422
11. I. Massova, and P.A. Kollman J. Am. Chem. Soc. 121 1999 8133
12. I. Massova, and P.A. Kollman Persp. Drug Disc. Des. 18 2000 113
13. I.S. Moreira, P.A. Fernandes, and M.J. Ramos Theor. Chem. Acc. 117 2007 99
14. S. Huo, I. Massova, and P.A. Kollman J. Comput. Chem. 23 2002 15
15. T. Li, M. Froeyen, and P. Herdewijn J. Mol. Graphics Modell. 26 2008 813
16. A. Hamza, M. Tong, M.D.M. AbdulHameed, J. Liu, A.C. Goren, H. Tai, and C. Zhan J. Phys. Chem. B 114 2010 5605
17. S. Pieraccini Nat. Chem. 1 2009 642
18. S. Rendine, S. Pieraccini, and M. Sironi Phys. Chem. Chem. Phys. 12 2010 15530
19. D.J. Stauber, E.W. Debler, P.A. Horton, K.A. Smith, and I.A. Wilson Proc. Nat. Acad. Sci. USA 103 2006 2793
20. C.D. Thanos, M. Randal, and J.A. Wells J. Am. Chem. Soc. 125 2003 15280
21. C.D. Thanos, W.L. DeLano, J.A. Wells, Structure of SP4160 bound to IL-2 V69A, 2009.
22. M.A. Marti-Renom, A. Stuart, A. Fiser, R. Sanchez, F. Melo, and A. Sali Annu. Rev. Biophys. Biomol. Struct. 29 2000 291
23. N. Eswar Current Protocols in Bioinformatics 2006 John Wiley and Sons
24. D.A. Case Amber 9 2006 University of California San Francisco
25. Y. Duan J. Comput. Chem. 24 2003 1999
26. J. Wang, R.M. Wolf, J.W. Caldwell, P.A. Kollman, and D.A. Case J. Comput. Chem. 25 2004 1157
27. W.L. Jorgensen, J. Chandrasekhar, J. Madura, and M.L. Klein J. Chem. Phys. 79 1983 926
28. J.P. Ryckaert, G. Cicciotti, and H.J.C. Berendsen J. Comput. Phys. 23 1977 327
29. T. Darden, D. York, and L. Pedersen J. Chem. Phys. 98 1993 10089
30. S.M. Zurawsky, F. Vega Jr., E.L. Doyle, B. Huyghe, K. Flaherty, D.B. McKay, and G. Zurawsky EMBO J. 12 1993 5113
31. N.D. Waal Bioorg. Med. Chem. Lett. 15 2005 983
32. N. Singh, and A. Warshel Proteins: Struct. Funct. Bioinf. 78 2010 1705
33. W. Humphrey, A. Dalke, and K. Schulten J. Molec. Graph. 14 1996 33