Molecular modelling of UH-301 and 5-HT1a receptor interactions

Protein Engineering

Volumn 9, Issue 2, 1996, Pages 149-160

  Sylte, Ingebrigt ^a   Edvardsen, Øyvind ^a   Dahl, Svein G ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

Author keywords

5 HT1a receptor; 8 OH DPAT; Electrostatic potentials; Molecular dynamics; Receptor modelling; UH 301

Indexed keywords

2 DIPROPYLAMINO 5 FLUORO 8 HYDROXYTETRALIN; 2 DIPROPYLAMINO 8 HYDROXYTETRALIN; HYDROXYL GROUP; SEROTONIN 1A RECEPTOR; SEROTONIN ANTAGONIST;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; COMPLEX FORMATION; COMPUTER SIMULATION; ELECTRIC POTENTIAL; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTUM MECHANICS; RECEPTOR BINDING;

8-HYDROXY-2-(DI-N-PROPYLAMINO)TETRALIN; CHEMISTRY; DOPAMINE AGONISTS; HUMANS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTORS, SEROTONIN; SEROTONIN ANTAGONISTS; TETRAHYDRONAPHTHALENES;

EID: 0029926585     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (64)

1. Anderson, K., Kuruvilla, A., Uretsky, N. and Miller, D.D. (1981) J. Med. Chem., 24, 683-687.
2. Arvidsson, L.-E., Hacksell, U., Nilsson, J.L.G., Hjort, S., Carlsson, A., Lindberg, P., Sanchez, D. and Wikstrøm, H. (1981) J. Med. Chem., 24, 921-923.
3. Arvidsson, L.-E., Karlen, A., Norinder, U., Kenne, L., Sundell, S. and Hacksell, U (1988) J. Med. Chem., 31, 212-221.
4. Baldwin, J.M. (1993) EMBO J., 12, 1693-1703.
5. Bertin, B., Freissmuth, M , Breyer, R.M., Schütz, W., Strosberg, A.D. and Marullo, S. (1992) J. Biol. Chem., 267, 8200-8206.
6. Bjørk, L., Cornfield, L.J., Nelson, D.L., Hillver, S.E., Anden, N.E., Lewander, T. and Hacksell, U. (1991a) J. Pharmacol. Exp. Ther., 258, 58-65.
7. Bjørk, L., Lindgren, S., Hacksell, U. and Lewander, T. (1991b) Eur. J. Pharmacol., 199, 367-370.
8. Bjørk, L., Fredriksson, A., Hacksell, U. and Lewander, T. (1992) Eur. Neuropsychopharmacol., 2, 141-147.
9. Blüml, K., Mutschler, E. and Wess, J. (1994) J. Biol. Chem., 269, 11537-11541.
10. Brown, G.C. (1990) FEBS Lett., 260, 1-5.
11. Chanda, P.K., Minchin, M C.W., Davies, A.R., Greenberg, L., Reilly, Y., McGregor, W.H., Bhat, R., Lubeck, M.D., Mitzutani, S. and Hung, P.P. (1993) Mol. Pharmacol., 43, 516-520.
12. Chidester, C.G., Lin, C.-H., Lathi, R.A., Haadsma-Svensson, S.R and Smith, M.W. (1993) J. Med. Chem., 36, 1301-1315.
13. Chou, P.Y. and Fasman, G.D. (1978) Annu. Rev. Biochem., 47, 251-276.
14. Connolly, M.L. (1983) Science, 221, 709-713.
15. Dahl, S.G , Edvardsen, Ø. and Sylte, I. (1990) Clin. Neuropharmacol., 13 (Suppl. 2), 41-12.
16. Dahl, S.G., Edvardsen, Ø. and Sylte, I. (1991) Proc. Natl Acad. Sci. USA, 88, 8111-8115.
17. Deisenhofer, J. and Michel, H. (1989) Science, 245, 1463-1473.
18. Dijkstra, G.D.H., Tulp, M.T.M., Hermkens, P.H.H., van Maarseveen, J.H., Scheeren, H.W. and Kruse, C.G. (1993) Recl Trav. Chim. Pays-Bas, 112, 131-136.
19. Dixon, R.F., Sigal, I.S., Rands, E., Register, R.B., Candelore, M.R., Blake, A.D. and Strader, C.D (1987) Nature, 326, 73-77.
20. Dohlman, H.G., Thorner, J., Caron, M.G. and Lefkowitz, R.J. (1991) Annu. Rev. Biochem., 60, 653-688.
21. Donnelly, D., Findlay, J.B.C. and Blundell, T.L. (1994) Receptors Channels, 2, 61-78.
22. Edvardsen, Ø., Sylte, I and Dahl, S.G. (1992) Mol. Brain Res., 14, 166-178.
23. Eisenberg, D. (1984) Annu. Rev. Biochem., 53, 595-623.
24. Ferrin, T.E., Huang, C.C., Jarvis, L.E. and Langridge, R. (1988) J. Mol. Graphics, 6, 1-12.
25. Fraser, C.M , Wang, C.D., Robinson, D.A., Gocayne, J.D and Venter, J.C. (1989) Mol. Pharmacol., 36, 840-847.
26. Guan, X.-M., Peroutka, S.J. and Kobilka, B.K. (1992) Mol. Pharmacol., 41, 695-698.
27. Hartig, P., Kao, H.-T., Macchi, M., Adham, N., Zgombick, J., Weinshank, R. and Branchek, T. (1990) Neuropsychopharmacol., 3, 335-347.
28. Henderson, R., Baldwin, J.M., Ceska, T.A., Zemlin, F., Beckman, E. and Downing, K.H. (1990) J. Mol. Biol., 213, 899-929.
29. Hibert, M.F., Trumpp-Kallmeyer, S , Bruinvels, A. and Hoflack, J. (1991) Mol. Pharmacol., 40, 8-15.
30. Hillver, S.-E., Bjørk, L., Li, Y.-L., Svensson, B., Ross, S., Anden, N.-E. and Hacksell, U. (1990) J. Med. Chem., 33, 1541-1544.
31. Ho, B.Y., Karschin, A., Branchek, T., Davidson, N. and Lester, H.A. (1992) FEBS Lett , 312, 259-262.
32. Hutchins, C. (1994) Endocrine J., 2, 7-23.
33. Johansson, C.E , Meyerson, B.J. and Hacksell, U. (1991) Eur. J. Pharmacol., 202, 81-87
34. Karlen, A , Johansson, A.M., Kenne, L , Arvidsson, L.E. and Hacksell, U. (1986) J. Med. Chem., 29, 917-924.
35. Karlsson, A., Petterson, C., Sundell, S., Arvidsson, L.-E. and Hacksell, U. (1988) Acta Chem. Scand , B42, 231-236.
36. Kobilka, B K , Frielle, T., Collins, S , Yang-Feng, T., Kobilka, T.S., Francke, U., Lefkowitz, R.J. and Caron, M.G. (1987) Nature, 329, 75-79.
37. Kristiansen, K., Edvardsen, Ø. and Dahl, S.G. (1993) Med. Chem. Res., 3, 370-385.
38. Kunkel, M.T. and Peralta, E.G. (1993) EMBO J., 12, 3809-3815.
39. Kuipers, W., van Wijngaarden, I. and Ijzerman, A.P. (1994) Drug Des. Discuss., 11, 231-249
40. Luo, X., Zhang, D. and Weinstein, H. (1994) Protein Engng, 7, 1441-1448.
41. Maggio, R., Vogel, Z. and Wess, J. (1993) Proc. Natl Acad. Sci. USA, 90, 3103-3107.
42. Maloney Huss, K. and Lybrand, T.P. (1992) J. Mol. Biol., 225, 859-871.
43. Mansour, A., Meng, F., Meador-Woodruff, J.H., Taylor, L P., Civelli, O. and Akil, H. (1992) Eur. J. Pharmacol. Mol. Pharm. Sect., 227, 205-214.
44. Nakayama, T.A. and Khorana, H.G. (1991) J. Biol. Chem., 266, 4269-4275.
45. Nordvall, G. and Hacksell, U. (1993) J. Med. Chem., 36, 967-976.
46. Oliveira, L., Paiva, A.C.M. and Vriend, G. (1993) J. Comput.-Aided Mol. Des , 7, 649-658.
47. Pardo, L., Ballesteros, J.A., Osman, R. and Weinstein, H. (1992) Proc. Natl Acad. Sci. USA, 89, 4009-4012.
48. Pearlman, D.A., Case, D.A., Caldwell, J.C., Seibel, G.L., Singh, U.C., Weiner, P. and Kollman, P. (1991) AMBER 4.0. University of California, San Francisco.
49. Savarese, T.M. and Fraser, C.M. (1992) Biochem. J., 283, 1-19.
50. Schertler, G.F.X., Villa, C. and Henderson, R. (1993) Nature, 362, 770-772.
51. Singh, U.C. and Kollman, P.A. (1984) J. Comput. Chem , 5, 129-145.
52. Soppa, J. (1994) FEBS Lett., 342, 7-11.
53. Strader, C.D., Sigal, I.S., Register, R.B., Candelore, M.R., Rands, E. and Dixon, R.A.F. (1987) Proc. Natl Acad. Sci. USA, 84, 4384-4388.
54. Sylte, I., Edvardsen, Ø. and Dahl, S.G. (1993) Protein Engng, 6, 691-700.
55. Taylor, E.W. and Agarwal, A. (1993) FEBS Lett., 325, 161-166.
56. Trumpp-Kallmeyer, S., Bruinvels, A., Hoflack, J. and Hibert, M.F. (1991) Neurochem. Int., 19, 397-406.
57. Unger, V.M. and Schertler, G.F.X. (1995) Biophys. J., 68, 1776-1786.
58. Walker, P., Munoz, M., Martinez, R. and Peitsch, M. (1994) J. Biol. Chem., 269, 2863-2869.
59. Wang, C.-D., Buck, M.A. and Fraser, C.M. (1991) Mol. Pharmacol., 40, 168-179.
60. Weiner, S.J., Kollman, P.A., Case, D.A., Singh, U.C., Ghio, C., Alagona, G., Profeta, S., Jr and Weiner, P. (1984) J. Am. Chem. Soc., 106, 765-784.
61. Weiner, S.J., Kollman, P.A., Nguyen, D T. and Case, D.A. (1986) J. Comput. Chem., 7, 230-252.
62. Wess, J., Nanavati, S., Vogel, Z. and Maggio, R. (1993) EMBO J., 12, 331-338.
63. Zhang, D. and Weinstein, H. (1993) J. Med. Chem., 36, 934-938.
64. Zhou, W., Flanagan, C., Ballesteros, J.A., Konovicka, K., Davidson, J.S., Weinstein, H., Millar, R.P. and Sealfon, S.C. (1994) Mol. Pharmacol., 45, 165-170.