Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory

Journal of Physical Chemistry B

Volumn 114, Issue 23, 2010, Pages 7967-7973

  Phongphanphanee, Saree ^a   Yoshida, Norio ^a,b   Hirata, Fumio ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; DISTRIBUTION FUNCTIONS; GLYCEROL; METABOLISM; MOLECULES; NEON; NITRIC OXIDE; STATISTICAL MECHANICS; THREE DIMENSIONAL; UREA;

3D-RISM; ACTIVATION BARRIERS; AQUAPORINS; CHANNEL PORE; CONTINUOUS DISTRIBUTION; LIGAND MOLECULES; MD SIMULATION; MOLECULAR LIQUIDS; MOLECULAR SELECTIVITY; NEUTRAL MOLECULES; POTENTIALS OF MEAN FORCES; SELECTIVE FILTERS; STABILITY OF MOLECULES; THERMAL MOTION;

LIGANDS;

EID: 77953442972     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp101936y     Document Type: Article

References (45)

1. Preston, G. M.; Carroll, T. P.; Guggino, W. B.; Agre, P. Science 1992, 256, 385-387
2. Zeidel, M. I.; Ambudkar, S. V.; Sith, B. L.; Agre, P. Biochemistry 1992, 31, 7436-7440
3. Borgnia, M.; Nielsen, S.; Engel, A.; Agre, P. Annu. Rev. Biochem. 1999, 68, 425-458
4. Wu, B.; Beitz, E. Cell. Mol. Life Sci. 2007, 64, 2413-2421
5. Nakhoul, N. L.; Davis, B. A.; Romero, M. F.; Boron, W. F. Am. J. Physiol.: Cell Physiol. 1998, 274, C543
6. Endeward, V.; Musa-Aziz, R.; Cooper, G. J.; Chen, L.; Pelletier, M. F.; Virkki, L. V. C.; Supuran, T.; King, L. S.; Boron, W. F.; Gros, G. FASEB J. 2006, 20, 1974
7. Brandsen, H. J.; Postma, J. P. M.; van Gunstern, E. F.; Hermans, J. In Intermolecular Force; Pullman, B., Ed.; Reidel: Dordrecht, The Netherlands, 1981.
8. Nakhoul, N. L.; Hering-Smith, K. S.; Abdulnour-Nakhoul, S. M.; Hamm, L. L. Am. J. Physiol.: Renal Physiol. 2001, 281, F255
9. Ripoche, P.; Goossens, D.; Devuyst, O.; Gane, P.; Colin, Y.; Verkman, A. S.; Cartron, J. P. Transf. Clin. Biol. 2006, 13, 117
10. Yang, B.; Fukuda, N.; Van Hoek, A.; Mathay, M. A.; Ma, T.; Verkman, A. S. J. Biol. Chem. 2000, 275, 2686
11. Beitz, E.; Wu, B.; Holm, L. M.; Schultz, J. E.; Zeuthen, T. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 269
12. Holm, L. M.; Jahn, T. P.; MÃ̧ller, A. L. B.; Schjoerrin, J. K.; Ferri, D.; Klaerke, D. A.; Zeuthen, T. Eur. J. Physiol. 2005, 450, 415
13. Hub, J. S.; de Groot, B. L. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 1198
14. Wang, Y.; Cohen, J.; Boron, W. F.; Schulten, K.; Tajkhorshid, E. J. Struct. Biol. 2007, 157, 534
15. Kovalenko, A. In Molecular Theory of Solvation; Hirata, F., Ed.; Kluwer: Dordrecht, The Netherlands, 2003; Vol. 169, p 275.
16. Yoshida, N.; Imai, T.; Phongphanphanee, S.; Kovalenko, A.; Hirata, F. J. Phys. Chem. B 2009, 113, 873-886
17. Yoshida, N.; Phongphanphanee, S.; Maruyama, Y.; Imai, T.; Hirata, F. J. Am. Chem. Soc. 2006, 128, 12042-12043
18. Yoshida, N.; Phongphanphanee, S.; Hirata, F. J. Phys. Chem. B 2007, 111, 4588-4595
19. Phongphanphanee, S.; Yoshida, N.; Hirata, F. J. Am. Chem. Soc. 2008, 130, 1540-1541
20. Phongphanphanee, S.; Yoshida, N.; Hirata, F. J. Mol. Liq. 2009, 147, 107-111
21. Yamazaki, T.; Imai, T.; Hirata, F.; Kovalenko, A. J. Phys. Chem. B 2007, 111, 1206-1212
22. Imai, T.; Ohyama, S.; Kovalenko, A.; Hirata, F. Protein Sci. 2007, 16, 1927-1933
23. Imai, T.; Isogai, H.; Seto, T.; Kovalenko, A.; Hirata, F. J. Phys. Chem. B 2006, 110, 12149-12154
24. Imai, T.; Hiraoka, R.; Kovalenko, A.; Hirata, F. J. Am. Chem. Soc. 2005, 127, 15334-15335
25. Imai, T.; Hiraoka, R.; Kovalenko, A.; Hirata, F. Protein 2007, 66, 804-813
26. Perkyns, J.; Pettitt, B. M. Chem. Phys. Lett. 1992, 190, 626-630
27. Perkyns, J.; Pettitt, B. M. J. Chem. Phys. 1992, 97, 7656-7666
28. Kovalenko, A.; Hirata, F. J. Phys. Chem. B 1999, 103, 7942-7957
29. Kovalenko, A.; Hirata, F. J. Chem. Phys. 2000, 112, 10391-10402
30. Brandsen, H. J.; Postma, J. P. M.; van Gunstern, E. F.; Hermans, J. In Intermolecular Force; Pullman, B., Ed.; Reidel: Dordrecht, The Netherlands, 1981.
31. Hirschfelder, J. O.; Curtiss, C. F.; Bird, R. B. Molecular Theory of Gases and Liquids; J. Wiley & Sons: New York, 1954.
32. Harris, J. G.; Yung, K. H. J. Phys. Chem. 1995, 99, 12021-12024
33. Gao, J.; Xia, X.; George, T. F. J. Phys. Chem. 1993, 97, 9241
34. Jorgensen, W. L.; Gao, J. J. Phys. Chem. 1986, 90, 2174-2182
35. Zhou, Z.; Todd, B. D.; Travis, K. P.; Sadus, R. J. J. Chem. Phys. 2005, 123, 54505
36. Duffy, E. M.; Severance, D. L.; Jorgensen, W. L. Isr. J. Chem. 1993, 33, 323
37. Jorgensen, W. L. J. Phys. Chem. 1986, 90, 1276
38. Callam, C. S.; Singer, S. J.; Lowary, T. L.; Hadad, C. M. J. Am. Chem. Soc. 2001, 123, 11743-11754
39. Sui, H.; Han, B.; Lee, J. K.; Wallan, P.; Jap, B. K. Nature 2001, 414, 872-878
40. Tajkhorshid, E.; Nollert, P.; Jensen, M. Ã.; Miercke, L. J. W.; O'Connell, J.; Stroud, R. M.; Schulten, K. Science 2002, 296, 525-530
41. Wang, J.; Cieplak, P.; Kollman, P. A. J. Comput. Chem. 2000, 21, 1049-1047
42. Wang, Y.; Schulten, K.; Tajkhorshid, E. Structure 2005, 13, 1107-1118
43. Jensen, M. Ã.; Park, S.; Tajkhorshid, E.; Schulten, K. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 6731-6736
44. Heller, K. B.; Lin, E. C. C.; Wilson, T. H. J. Bacteriol. 1980, 144, 274-278
45. Pettersen, E. F.; Goddard, T. D.; Huang, C. C.; Couch, G. S.; Greenblatt, D. M.; Meng, E. C.; Ferrin, T. E. J. Comput. Chem. 2004, 25, 1605