Development of a quasi-dynamic pharmacophore model for anti-complement peptide analogues

Journal of the American Chemical Society

Volumn 127, Issue 31, 2005, Pages 10967-10976

  Mallik, Buddhadeb ^a   Morìkis, Dimìtrios ^a  

^a University of California Riverside   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; ENZYME INHIBITION; MOLECULAR DYNAMICS; PROBABILITY DISTRIBUTIONS; SAMPLING; STRUCTURE (COMPOSITION); TRAJECTORIES;

CONFORMERS; ORGANIC MOLECULES; PEPTIDES; PHARMACOPHORE MODEL;

PROTEINS;

COMPLEMENT INHIBITOR; COMPSTATIN; UNCLASSIFIED DRUG;

ARTICLE; COMPLEMENT INHIBITION; COMPLEMENT SYSTEM; DRUG ACTIVITY; DRUG CONFORMATION; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHARMACOPHORE; PHYSICAL CHEMISTRY; PROTEIN FUNCTION; PROTEIN STRUCTURE; STRUCTURE ACTIVITY RELATION;

COMPLEMENT SYSTEM PROTEINS; MODELS, CHEMICAL; PEPTIDES; PROBABILITY;

EID: 23744478670     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja051004c     Document Type: Article

References (38)

1. (a) Walport, M. J. N. Engl. J. Med. 2001, 344, 1058-1066.
2. (b) Walport, M. J. N. Engl. J. Med. 2001, 344, 1140-1144.
3. (c) Carroll, M. C. Annu. Rev. Immunol. 1998, 16, 545-568.
4. (d) Morikis, D.; Lambris, J. D., Eds. Structural Biology of the Complement System; CRC Press: Boca Raton, Florida, 2005.
5. Lambris, J. D., Holers, V. M., Eds. Therapeutic Interventions in the Complement System; Humana Press: Totowa, New Jersey, 2000.
6. (a) Morgan, B. P.; Harris, C. L. Mol. Immunol. 2003, 40, 159-170.
7. (b) Makrides, S. C. Pharmacol. Rev. 1998, 50, 59-87.
8. (c) Sahu, A.; Lambris, J. D. Immunopharmacology 2000, 49, 133-148.
9. (a) Morikis, D.; Lambris, J. D. In Structural Biology of the Complement Susyem: CRC Press: Boca Raton, Florida, 2005; pp 317-340.
10. (b) Morikis, D.; Soulika, A. M.; Mallik, B.; Klepeis, J. L.; Floudas, C. A.; Lambris, J. D. Biochem. Soc. Trans. 2004, 32, 28-32.
11. (c) Morikis, D.; Lambris, J. D. Biochem. Soc. Trans. 2002, 30, 1026-1036.
12. Sahu, A.; Morikis, D.; Lambris, J. D. In Therapeutic Interventions in the Complement System; Lambris, J. D., Holers, V. M., Eds.; Humana Press: Totowa, New Jersey, 2000; pp 75-112.
13. Holland, M. C. H.; Morikis, D.; Lambris, J. D. Curr. Opin. Invest. Drugs 2004, 5, 1164-1173.
14. Sahu, A.; Kay, B. K.; Lambris, J. D. J. Immunol. 1996, 157, 884-891.
15. Morikis, D.; Assa-Munt, N.; Sahu, A.; Lambris, J. D. Protein Sci. 1998, 7, 619-627.
16. Sahu, A.; Soulika, A. M.; Morikis, D.; Spruce, L.; Moore, W. T.; Lambris, J. D. J. Immunol. 2000, 165, 2491-2499.
17. Morikis, D.; Roy, M.; Sahu, A.; Troganis, A.; Jennings, P. A.; Tsokos, G. C.; Lambris, J. A. J. Biol. Chem. 2002, 277, 14942-14953.
18. Mallik, B.; Katragadda, M.; Spruce, L. A.; Carafides, C.; Tsokos, C. G.; Morikis, D.; Lambris, J. D. J. Med. Chem. 2005, 48, 274-286.
19. Klepeis, J. L.; Floudas, C. A.; Morikis, D.; Lambris, J. D. J. Comput. Chem. 1999, 20, 1354-1370.
20. Soulika, A. M.; Morikis, D.; Sarrias, M. R.; Roy, M.; Spruce, L. A.; Sahu, A.; Lambris, J. D. J. Immunol. 2003, 171, 1881-1890.
21. (a) Klepeis, J. L.; Floudas, C. A.; Morikis, D.; Tsokos, C. G.; Argyropoulos, E.; Spruce, L.; Lambris, J. D. J. Am. Chem. Soc. 2003, 125, 8422-8423.
22. (b) Klepeis, J. L.; Floudas, C. A.; Morikis, D.; Tsokos, C. G.; Lambris, J. D. Ind. Eng. Chem. Res. 2004, 43, 3817-3826.
23. (a) Katragadda, M.; Morikis, D.; Lambris, J. D. J. Biol. Chem. 2004, 279, 54987-54995.
24. (b) Sahu, A.; Morikis, D.; and Lambris, J. D. Mol. Immunol. 2003, 39, 557-566.
25. Mallik, B.; Lambris, J. D.; Morikis, D. Proteins: Struct., Funct., Genet 2003, 53, 130-141.
26. (a) Huang, P.; Kim, S.; Loew, G. J. J. Comput.-Aided Mol. Des. 1997, 11, 21-28.
27. (b) Brandt, W. J. Comput.-Aided Mol. Des. 1998, 12, 615-621.
28. (a) Zheng, Q.; Kyle, D. J. Drug Discovery Today 1997, 2, 229-234.
29. (b) Walters, W. P.; Stahl, M. T.; Murco, M. A. Drug Discovery Today 1998, 3, 160-178.
30. (a) Carlson, H. A.; Masukawa, K. M.; Rubins, K.; Bushman, F. D.; Jorgensen, W. L.; Lins, R. D.; Briggs, J. M.; McCammon, J. A. J. Med. Chem. 2000, 43, 2100-2114.
31. (b) Carlson, H. A.; McCammon, J. A. Mol. Pharmacol. 2000, 57, 213-218.
32. (c) Mustata, G. I.; Briggs, J. M. J. Comput-Aided Mol. Des. 2002, 16, 935-953.
33. (d) Krovat, E. M.; Langer, T. J. Med. Chem. 2003, 46, 716-726.
34. Bernard, D.; Coop, A.; MacKerell, D., Jr. J. Am. Chem. Soc. 2003, 125, 3101-3107.
35. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187-217.
36. Ryckaert, J.-P.; Cicotti, G.; Berendsen, H. C. J. Comput. Phys. 1977, 23, 327-341.
37. Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. J. Am. Chem. Soc. 1990, 112, 6127-6129
38. Schulz, G. E.; Schirmer, R. H. Principles of Protein Structure; Springer-Verlag: New York, New York, 1979.