Conformational structure of some trimeric and pentameric structural units of heparin

Journal of Physical Chemistry A

Volumn 111, Issue 51, 2007, Pages 13484-13491

  Remko, Milan ^a,b   Von Der Lieth, Claus Wilhelm ^b  

^a Physics and Informatics   (Slovakia)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; DISSOCIATION; IONS; MOLECULAR STRUCTURE; PROTEINS; SODIUM COMPOUNDS;

CONFORMATIONAL STRUCTURE; HEPARIN;

ORGANIC COMPOUNDS;

ANION; HEPARIN; OLIGOSACCHARIDE; SODIUM;

ARTICLE; CARBOHYDRATE ANALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; MOLECULAR GENETICS; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

ANIONS; CARBOHYDRATE CONFORMATION; CARBOHYDRATE SEQUENCE; COMPUTER SIMULATION; HEPARIN; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; OLIGOSACCHARIDES; SODIUM; SOLUTIONS; THERMODYNAMICS;

EID: 38349157258     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075330l     Document Type: Article

References (51)

1. Rodén, L. In Heparin-Chemical and Biological Properties; Lane, D. A., Lindahl, U., Eds.; CRC Press: Boca Raton, FL, 1989; pp 1-24.
2. Desai, U. R. Med. Res. Rev. 2004, 24, 151.
3. Capila, I.; Linhardt, R. J. Angew. Chem., Int. Ed. 2002, 41, 390.
4. Rabenstein, D. L. Nat. Prod. Rep. 2002, 19, 312.
5. Lane, D. A.; Lindahl, U. Heparin-Chemical and Biological Properties; CRC Press: Boca Raton, FL, 1989.
6. Casu, B.; Lindahl, U. Adv. Carbohydr. Chem. Biochem. 2001, 57, 159.
7. Petitou, M.; van Boeckel, C. A. A. Angew. Chem., Int. Ed. 2004, 43, 3118.
8. Remko, M.; von der Lieth, W. C. J. Chem. Inf. Mod. 2006, 46, 1194.
9. Remko, M.; von der Lieth, W. C. J. Chem. Inf. Mod. 2006, 46, 1687.
10. Remko, M.; Swart, M.; Bickelhaupt, F. M. J. Phys. Chem. B 2007, 111, 2313.
11. Remko, M.; van Duijnen, P. T.; von der Lieth, W. C. J. Mol. Struct. (THEOCHEM) 2007, 814, 119.
12. Frisch, M. J. et al. Gaussian 03, Revision B.04; Gaussian, Inc.: Pittsburgh, PA, 2003.
13. Kohn, W.; Sham, L. J. Phys. Rev. A: At., Mol., Opt. Phys. 1965, 140, 1133.
14. For a recent perspective, see: Baerends, E. J. Theor. Chem. Ace 2000, 103, 265.
15. Bickelhaupt, F. M.; Baerends, E. J. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York, 2000; Vol. 15, pp 1-86.
16. Becke, A. D. Phys. Rev. A: At., Mol., Opt. Phys. 1988, 38, 3098.
17. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
18. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37, 785.
19. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
20. Barone, V.; Cossi, M. J. Phys. Chem. A 1998, 102, 1995.
21. Cossi, M.; Rega Scalmani, G.; Barone, V. J. Comput. Chem. 2003, 24, 669.
22. Onsager, L. J. Am. Chem. Soc. 1936, 58, 1486.
23. Wong, M. W.; Frisch, M. J.; Wiberg, K. B. J. Am. Chem. Soc. 1991, 113, 4776.
24. Wong, M. W.; Frisch, M. J.; Wiberg, K. B. J. Am. Chem. Soc. 1992, 114, 523.
25. Wong, M. W.; Frisch, M. J.; Wiberg, K. B. J. Chem. Phys. 1991, 95, 8991.
26. Wong, M. W.; Frisch, M. J.; Wiberg, K. B. J. Am. Chem. Soc. 1992, 114, 1645.
27. Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 5612.
28. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6550.
29. Kapp, J.; Remko, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1996, 118, 5745.
30. Alcamí, M.; González, A. I.; Mó, O.; Yánez, M. Chem. Phys. Lett. 1999, 307, 244.
31. Remko, M. Mol. Phys. 1997, 91, 929.
32. Remko, M.; Rode, B. M. J. Mol. Struct. (THEOCHEM) 2000, 505, 269.
33. Remko, M.; Rode, B. M. J. Phys. Chem. A 2006, 110, 1960.
34. Dyekjær, J. D.; Rasmussen, K. Mini-Rev. Med. Chem. 2003, 3, 713.
35. DiGabriele, A. M.; Lax, I.; Chen, D. I.; Svahn, C. M.; Jayes, M.; Schlessinger, J.; Hendrickson, W. A. Nature (London, U.K.) 1998, 393, 812.
36. Mulloy, B.; Linhardt, R. J. Curr. Opin. Struct. Biol. 2001, 11, 623.
37. Lamba, D.; Glover, S.; Mackie, W.; Rashid, A.; Sheldrick, B.; Pérez, S. Glycobiology 1994, 4, 151.
38. Ojala, W. H.; Albers, K. E.; Gleason, W. B.; Choo, C. G. Carbohydr. Res. 1995, 275, 49.
39. Yates, E. A.; Mackie, W.; Lamba, D. Int. J. Biol. Macromol. 1995, 17, 219.
40. Felsenfeld, G.; Miles, T. H. Annu. Rev. Biochem. 1967, 36, 407.
41. Whitfield, D. M.; Stojkovski, S.; Sarkar, B. Coord. Chem. Rev. 1993, 122, 171.
42. Rabenstein, D. L.; Robert, J. M.; Peng, J. Carbohydr. Res. 1995, 278, 239.
43. Chevalier, F.; Lucas, R.; Angulo, J.; Lomas, M. M.; Nieto, P. M.; Carbohydr. Res. 2004, 339, 975.
44. Cerda, B. A.; Wesdemiotis, C. Int. J. Mass Spectrom. 1999, 189, 189.
45. Hari, S. P.; McAllister, H.; Chuang, W.-L.; Christ, M. D.; Rabenstein, D. L. Biochemistry 2000, 39, 3763.
46. http://www.chem.qmul.ac.uk/iupac/2carb/.
47. Jin, L.; Abrahams, J. P.; Skinner, R.; Petitou, M.; Pike, R. N.; Carrell, R. W. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 14683.
48. Johnson, D. J. D.; Huntington, J. A. Biochemistry 2003, 42, 8712.
49. Johnson, D. J. D.; Li, W.; Adams, T. E.; Huntington, J. A. EMBO J. 2006, 25, 2029.
50. Raman, R.; Sasisekharan, V.; Sasisekharan, R. Chem. Biol. 2004, 12, 267.
51. Mikhailov, D.; Linhardt, R. J.; Mayo, K. H. Biochem. J. 1997, 328, 51.