Fragment 101-108 of myelin oligodendrocyte glycoprotein: A possible lead compound for multiple sclerosis

Journal of the American Chemical Society

Volumn 131, Issue 47, 2009, Pages 17176-17184

  Guardiani, Carlo ^a   Marsili, Simone ^a   Procacci, Piero ^a   Livi, Roberto ^a  

^a UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOIMMUNE DISEASE; CENTRAL NERVOUS SYSTEMS; DIAGNOSTIC ASSAYS; DISULFIDE BONDS; DOCKING SIMULATIONS; EQUILIBRIUM CONFORMATION; EQUILIBRIUM STRUCTURES; GENERALIZED BORN; HAIRPIN CONFORMATION; MULTIPLE SCLEROSIS; OLIGODENDROCYTES; PREMATURE DEATH; REPLICA EXCHANGE MOLECULAR DYNAMICS; STABLE COMPLEXES;

AMINES; ANTIGENS; DOCKING; GLYCOPROTEINS; LEAD COMPOUNDS; MOLECULAR DYNAMICS; PEPTIDES; REACTION KINETICS; SIMULATORS;

CONFORMATIONS;

AUTOANTIBODY; MYELIN OLIGODENDROCYTE GLYCOPROTEIN;

ANTIGEN ANTIBODY REACTION; ARTICLE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CORRELATION ANALYSIS; CRYSTAL; DISEASE MARKER; ENERGY TRANSFER; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MULTIPLE SCLEROSIS; PROTEIN CONFORMATION;

HUMANS; MODELS, MOLECULAR; MULTIPLE SCLEROSIS; MYELIN-ASSOCIATED GLYCOPROTEIN; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 72249090819     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja905154j     Document Type: Article

References (36)

1. Lebar, R.; Lubetzki, C.; Vincent, C.; Lombrail, P.; Boutry, J. M. Clin. Exp. Immunol. 1986, 66, 423-434.
2. Amor, S.; Groome, N.; Linington, C.; Morris, M. M.; Dornmair, K.; Gardinier, M. V.; Matthieu, J. M.; Baker, D. J. Immunol. 1994, 153, 4349-4356.
3. Genain, C. P.; Cannella, B.; Hauser, S. L.; Raine, C. S. Nat. Med. 1999, 5, 170-175.
4. Brehm, U.; Piddlesden, S. J.; Gardinier, M. V.; Linington, C. J. Neuroimmunol. 1999, 97, 9-15.
5. Haase, C. G.; Guggenmos, J.; Brehm, U.; Andersson, M.; Olsson, T.; Reindl, M.; Schneidewind, J. M.; Zettl, U. K.; Heidenreich, F.; Berger, T.; Wekerle, H.; Hohlfeld, R.; Linington, C. J. Neuroimmunol. 2001, 114, 220-225.
6. Breithaupt, C.; Schubart, A.; Zander, H.; Skerra, A.; Huber, R.; Linington, C.; Jacob, U. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 9446-9451.
7. Dominguez, C.; Boelens, R.; Bonvin, A. M. J. J. J. Am. Chem. Soc. 2003, 125, 1731-1737.
8. Mahadev, R. K.; Di Pietro, S. M.; Olson, J. M.; Piao, H. L.; Payne, G. S.; Overduin, M. EMBO J. 2007, 26, 1963-1971.
9. Wei, Y.; Liu, S.; Lausen, J.; Woodrell, C.; Cho, S.; Biris, N.; Kobayashi, N.; Wei, Y.; Yokoyama, S.; Werner, M. H. Nat. Struct. Mol. Biol. 2007, 14, 653-661.
10. Lin, Z.; Sriskanthadevan, S.; Huang, H.; Siu, C. H.; Yang, D. Nat. Struct. Mol. Biol. 2006, 13, 1016-1022.
11. Liew, C. K.; Simpson, R. J. Y.; Kwan, A. H. Y.; Crofts, L. A.; Loughlin, F. E.; Matthews, J. M.; Crossley, M.; Mackay, J. P. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 583-588.
12. Jorgensen, W. L.; Tirado-Rives, J. J. Am. Chem. Soc. 1988, 110, 1657-1666.
13. Berne, B. J.; Straub, J. E. Curr. Opin. Struct. Biol. 1997, 7, 181-189.
14. Mitsutake, A.; Sugita, Y.; Okamoto, Y. Biopolymers 2001, 60, 96-123.
15. Rathore, N.; Knotts, T.A. IV; de Pablo, J. J. J. Chem. Phys. 2003, 118, 4285-4290.
16. Marinari, E.; Parisi, G. Europhys. Lett. 1992, 19, 451-458.
17. Marinari, E.; Parisi, G.; Ruiz-Lorenzo, J. J. In Spin Glasses and Random Fields; Young, A. P., Ed.; World Scientific: Singapore, 1998; pp 59-98.
18. Sugita, Y.; Okamoto, Y. Chem. Phys. Lett. 1999, 314, 141-151.
19. Liu, P.; Kim, B.; Friesner, R. A.; Berne, B. J. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 13749-13754.
20. Bashford, D.; Case, D. A. Annu. Rev. Phys. Chem. 2000, 51, 129-152.
21. Mongan, J.; Simmerling, C.; McCammon, A.; Case, D. A.; Onufriev, A. J. Chem. Theory Comput. 2007, 3, 156-169.
22. Roe, D. R.; Okur, A.; Wickstrom, L.; Hornack, V.; Simmerling, C. J. Phys. Chem. B 2007, 111, 1846-1857.
23. Geney, R.; Layten, M.; Gomperts, R.; Hornak, V.; Simmerling, C. J. Chem. Theory Comput. 2006, 2, 115-127.
24. Zhou, R. Proteins: Struct., Funct., Genet. 2003, 53, 148-161.
25. Kortemme, T.; Baker, D. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 14116-14121.
26. Heyer, L. J.; Kruglyak, S.; Yooseph, S. Genome Res. 1999, 9, 1106-1115.
27. van Dijk, A. D. J.; Ciofi-Baffoni, S.; Banci, L.; Boelens, R.; Bonvin, A. M. J. J. J. Proteome Res. 2007, 6, 1530-1539.
28. Kofke, D. A. J. Chem. Phys. 2002, 117, 6911-6914.
29. Hornak, V.; Abel, R.; Okur, A.; Strockbine, B.; Roitberg, A.; Simmerling, C. Proteins: Struct., Funct., Bioinf. 2006, 65, 712-725.
30. Wang, J.; Cieplak, P.; Kollmann, P. A. J. Comput. Chem. 2000, 21, 1049-1074.
31. Onufriev, A.; Bashford, D.; Case, D. A. Proteins: Struct., Funct., Bioinf. 2004, 55, 383-394.
32. Rini, J. M.; Schultze-Gahmen, U.; Wilson, J. A. Science 1992, 255, 959-965.
33. von Büdingen, H. C.; Hauser, S. L.; Fuhrmann, A.; Nabavi, C. B.; Lee, J. I.; Genain, C. P. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 8207-8212.
34. Signorini, G. F.; Chelli, R.; Procacci, P.; Schettino, V. J. Phys. Chem. 2004, 108, 12252-12257.
35. Case, D. A. AMBER 9, University of California: San Francisco, 2006.
36. Schaftenaar, G.; Noordik, J. K. J. Comput.-Aided Mol. Des. 2000, 14, 123-134.