Computer simulations of signal transduction mechanism in α1b-adrenergic and m3-muscarinic receptors

Protein Engineering, Design and Selection

Volumn 8, Issue 6, 1995, Pages 557-564

  Fanelli, Franceses ^a   Menziani, M Cristina ^a   De Benedetti, Pier G ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

1B adrenergic receptor; Constitutively active mutants; M 3muscarnic receptor; Molecular dynamics; Receptor activation

Indexed keywords

ALPHA 1 ADRENERGIC RECEPTOR; LIGAND; MUSCARINIC M3 RECEPTOR;

ARTICLE; COMPUTER MODEL; COMPUTER SIMULATION; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NEUROTRANSMISSION; NONHUMAN; PRIORITY JOURNAL; RECEPTOR BINDING; SIGNAL TRANSDUCTION;

ADRENERGIC ALPHA-AGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANIMAL; CHOLINERGIC AGENTS; COMPUTER SIMULATION; HAMSTERS; MUTAGENESIS, SITE-DIRECTED; RATS; RECEPTORS, ADRENERGIC, ALPHA-1; RECEPTORS, MUSCARINIC; SIGNAL TRANSDUCTION; SUPPORT, NON-U.S. GOV'T;

EID: 0029120547     PISSN: 17410126     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/8.6.557     Document Type: Article

References (25)

1. Baldwin, J.M. (1993) EMBO J., 12, 1693-1703.
2. Ballesteros J. A. and Weinstein, H. (1994) Methods Neurosci., 25, 366-428.
3. Blüml, K. Mutschler J. E. and Wess, J. (1994) J. Biol. Chem., 22, 18870-18876.
4. Brooks.BR., Bruccoleri, R.E., Olafson, B.D., States JJ, Swaminathan, S. and Karplus, M. (1983) J. Comput. Chem., 4, 187-217.
5. Chollet, A., Turcatt, G., Ceszkowski, K. and Bradshaw, C. (1995) In FindlayJ. (ed.), Membrane Protein Models: Experiment, Theory and Speculation. BIOS Scientific Publishers, Oxford, UK, in press.
6. Dewar, MJ.S., Zoebisch, E.G., Healey, E.F. and Stewart, JJ.P. (1985) J. Am. Chem. Soc., 107, 3902-3909.
7. Fanelli, F., Menziani, M.C., Carotti, A. and De Benedetti, P.G. (1994a) Bioorg. Med. Chem., 2, 195-211.
8. Fanelli, F., Menziani, M.C., Cocchi, M., Leonardi, A. and De Benedetti, P.G. (1994b) J. Mol. Struct. (Theochem), 120, 265-276.
9. Fanelli, F., Menziani, M.C., Cocchi, M. and De Benedetti, P.G. (1995) J Mol. Struct. (Theochem), 333, 49-69.
10. Franke, R.R., Koning, B., Sakmar, T.P., Khorana, H.G. and Hofmann, K.P. (1990) Science, 250, 123-125.
11. Henderson, R., Baldwin, J.M., Ceska, T.A., Zemlin, F., Beckmann, E. and Downing, K.H. (1990) J. Mol Biol., 213, 899-929.
12. Kontoyianni, M. and Lybrand, T.P. (1993) Med Chem. Res., 3, 407-418.
13. Molecular Simulations (1990) QUANTA/CHARMm. Molecular Simulations, 200 Fifth Avenue, Waltham, MA 02254.
14. Olivieira, L., Paiva, C.M., Sander, C. and Vriend, G. (1994) Trends Pharmacol. Sci., 15, 170-172.
15. Savarrese, T.M. and Fraser, C.M. (1992) Biochem. J., 283, 1-19.
16. Schertler, G.F.X., Villa, C. and Henderson, R. (1993) Nature, 362, 770-772.
17. Smith, PE. and van Gunsteren, W.F. (1993) In van Gunsteren, W.F., Weiner, P.K. and Wilkinson, A J. (eds), Computer Simulation of Biomolecular Systems. Theoretical and Experimental Applications. ESCOM Science Publishers BV, Leiden, The Netherlands, Vol. 2, pp. 182-212.
18. Timms, D., Wilkinson, AJ., Kelly, D.R., Broadley, K.J. and Davies, R.H. (1992) Int. J. Quantum Chem., Quantum Biol Symp., 19, 197-215.
19. Timms, D., Wilkinson, A J., Kelly, D.R., Broadley, KJ. and Davies, R.H. (1994) Receptors Channels, 2, 107-119.
20. Totajtf, R. and Strader, C. (1990) J. Biol Chem., 265, 16891-16894.
21. van Gunsteren, W.F. and BerendsenJ.C. (1987) Mol. Phys., 34, 1311-1327.
22. Verleu, L. (1967) Phys. Rev., 159, 98-103.
23. Wess, J. (1993) Life Sci, 53, 1447-1463.
24. Zhang, D. and Weinstein, H. (1993) J. Med. Chem., 36, 934-938.
25. Zhu, S.Z., Wang, S.Z., Hu, J. and EI-Fakahany, E. (1994) MoL Pharmacol, 45, 517-523.