α1-adrenoceptor subtype selectivity: Molecular modelling and theoretical quantitative structure-affinity relationship

Bioorganic and Medicinal Chemistry

Volumn 5, Issue 5, 1997, Pages 809-816

  De Benedetti, P G ^a   Fanelli, F ^a   Menziani, M C ^a   Cocchi, M ^a   Testa, R ^b   Leonardi, A ^b  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b Recordati SpA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

1 (2 METHOXYPHENYL) 4 (4 PHTHALIMIDOBUTYL)PIPERAZINE; 1,4 DIHYDRO 2,6 DIMETHYL 4 (4 NITROPHENYL) 3,5 PYRIDINEDICARBOXYLIC ACID [3 (4,4 DIPHENYL 1 PIPERIDINYL)PROPYL]AMIDE METHYL ESTER; 2 [[2 (2,6 DIMETHOXYPHENOXY)ETHYL]AMINOMETHYL] 1,4 BENZODIOXAN; 5 METHYLURAPIDIL; 7 CHLORO 3,4,5,6 TETRAHYDRO 4 METHYL 2 VINYLTHIENO[4,3,2 EF][3]BENZAZEPINE; 8 [2 [4 (2 METHOXYPHENYL) 1 PIPERAZINYL]ETHYL] 8 AZASPIRO[4.5]DECANE 7,9 DIONE; ALPHA 1 ADRENERGIC RECEPTOR; ALPHA ADRENERGIC RECEPTOR BLOCKING AGENT; ALPHA ADRENERGIC RECEPTOR STIMULATING AGENT; CYCLAZOCINE; N [2 [4 (2 METHOXYPHENYL) 1 PIPERAZINYL]ETHYL] N (2 PYRIDYL)CYCLOHEXANECARBOXAMIDE; NIGULDIPINE; PRAZOSIN; RECEPTOR SUBTYPE; SPIPERONE; TAMSULOSIN; UNCLASSIFIED DRUG; URAPIDIL;

ARTICLE; BINDING AFFINITY; BINDING SITE; CATTLE; COMPUTER MODEL; HAMSTER; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR AFFINITY;

ADRENERGIC ALPHA-ANTAGONISTS; AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; CATTLE; COMPUTER SIMULATION; CRICETINAE; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; RADIOLIGAND ASSAY; RATS; RECEPTORS, ADRENERGIC, ALPHA-1; SEQUENCE HOMOLOGY, AMINO ACID; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

BOS TAURUS; BOVINAE; CRICETINAE;

EID: 0030925672     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(97)00007-2     Document Type: Article

References (29)

1. Langer, S. Z. Brit. J. Pharmacol. 1974, 60, 481.
2. Starke, K.; Montel, H.; Gayk W.; Marker, R. Naunyn-Schmiedeberg's Arch. Pharmacol. 1974, 285, 133.
3. Flavahan, N. A.; Vanhoutte, P. M. Trends Pharmacol. Sci. 1986, 7, 347.
4. Morrow, A. L.; Creese, I. Mol. Pharmacol. 1986, 29, 321.
5. Han, C.; Abel, P. W.; Minneman, K. P. Nature (London) 1987, 329, 333.
6. Schwinn, D. A.; Lomasney, J. W.; Lorenz, W.; Szklut, P. J.; Fremeau, R. T.; Yang-Feng, T. L.; Caron, M. G.; Lefkowitz, R. J.; Cotecchia, S. J. Biol. Chem. 1990, 265, 8183.
7. Cotecchia, S.; Schwinn, D. A.; Randall, L. L.; Lefkowitz, R. J.; Caron, M. G.; Kobilka, B. K. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 7159.
8. Lomasney, J. W.; Cotecchia, S.; Lorenz, S.; Leung, W.; Schwinn, D. A.; Yang-Feng, T. L.; Brownstein, M.; Lefkowitz, R. J.; Caron, M. G. J. Biol. Chem. 1991, 266, 6365.
9. Perez, D. M.; Piascik, M. T.; Graham, R. M. Mol. Pharmacol. 1991, 40, 876.
10. Schwinn, D. A.; Lomasney, J. M. Eur. J. Pharmacol. 1992, 227, 433.
11. Hieble, J. P.; Bylund, D. B.; Clarke, A. E.; Eikenberg, D. C.; Langer, S. Z.; Lefkowitz, R. J.; Minneman, K. P.; Ruffolo, R. R. Pharmacol. Rev. 1995, 47, 267.
12. Flavahan, N. A.; Vanhoutte, P. M. Trends Pharmacol. Sci. 1986, 7, 347.
13. Muramatsu, I.; Ohmura, T.; Kigoshi, S.; Hashimoto, S.; Oshita M. Brit. J. Pharmacol. 1990, 99, 197.
14. Muramatsu, I.; Ohmura, T.; Hashimoto, S.; Oshita M. Mol. Pharmacol. Comm. 1995, 6, 23.
15. De Benedetti, P. G.; Menziani, M. C.; Fanelli, F.; Cocchi, M. J. Mol. Struct. (Theochem) 1993, 285, 147.
16. Fanelli, F.; Menziani, M. C.; Cocchi, M.; Leonardi, A.; De Benedetti, P. G. J. Mol. Struct. (Theochem) 1994, 314, 265.
17. Faneili, F.; Menziani, M. C.; Carotti, A.; De Benedetti, P. G. Bioorg. Med. Chem. 1994, 2, 195.
18. Menziani, M. C.; Cocchi, M.; Fanelli, F.; De Benedetti, P. G. J. Mol. Struct. (Theochem) 1995, 333, 243.
19. Menziani, M. C.; Fanelli, F.; Cocchi, M.; De Benedetti, P. G. In Membrane Protein Models; Findley, J. B. C., Ed.; BIOS: 1996; p 113.
20. Fanelli, F.; Menziani, M. C.; De Benedetti, P. G. Bioorg. Med. Chem. 1995, 3, 1465.
21. Savarrese, T. M.; Fraser, C. M. Biochem. J. 1992, 283, 1.
22. Fanelli, F.; Menziani, M. C.; M. Cocchi; De Benedetti, P. G. J. Mol. Struct. (Theochem) 1995, 333, 49.
23. Baldwin, J. M. EMBO J. 1993, 12, 1693.
24. Schertler, G. F. X.; Villa, C; Henderson, R. Nature (London) 1993, 362, 770.
25. Henderson, R.; Baldwin, J. M.; Ceska, T. A.; Zemlin, F.; Beckmann, E.; Downing, K. H. J. Mol. Biol., 1990, 213, 899.
26. QUANTA/CHARMm, 1990, Molecular Simulations, 200 Fifth Avenue, Waltham, MA 02254.
27. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
28. van Gunsteren, W. F.; Berendsen, J. C. Mol. Phys. 1987, 34, 1311.
29. Dewar, M. J. S.; Zoebisch, E. G.; Healey, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.