Pseudoreceptor model for ryanodine derivatives at calcium release channels

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 5, 2000, Pages 467-475

  Schleifer, Klaus Jürgen ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

3D QSAR; Calcium channel; Excitation contraction coupling; Monte Carlo protocol; Pseudoreceptor modelling; Triad junction

Indexed keywords

AROMATIC COMPOUNDS; BINDING ENERGY; CALCIUM; CARBOXYLATION; COMPUTATIONAL CHEMISTRY; HYDROGEN BONDS; HYDROPHOBICITY; TOPOLOGY;

3D-QSAR; CALCIUM CHANNELS; CALCIUM RELEASE; EXCITATION-CONTRACTION COUPLING; MONTE CARLO PROTOCOL; PSEUDORECEPTOR MODEL; RYANODINE; RYANODINE RECEPTORS; SKELETAL MUSCLE; TRIAD JUNCTION;

LIGANDS;

ASPARAGINE; GLUTAMIC ACID; HYDROXYL GROUP; ISOLEUCINE; LEUCINE; LIGAND; METHYL GROUP; PHENYLALANINE; PYRROLE DERIVATIVE; RYANODINE; RYANODINE RECEPTOR; TYROSINE;

ANIMAL TISSUE; ARTICLE; BINDING SITE; CHEMICAL BINDING; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; ELECTRICITY; HYDROGEN BOND; HYDROPHOBICITY; NONHUMAN; PRIORITY JOURNAL; PROTEIN LOCALIZATION; RABBIT; RESIDUE ANALYSIS; SKELETAL MUSCLE;

EID: 0034042796     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008141819487     Document Type: Article

References (25)

1. Sutko, J.L., Airey, J.A., Welch, W. and Ruest, L., Pharmacol. Rev., 49 (1997) 53.
2. Leong, P. and MacLennan, D.H., J. Biol. Chem., 273 (1998) 7791.
3. Saiki, Y., El-Hayek, R. and Ikemoto, N., J. Biol. Chem., 274 (1999) 7825.
4. Pessah, I.N., Waterhouse, A.L. and Casida, J.E., Biochem. Biophys. Res. Commun., 128 (1985) 449.
5. Takeshima, H., Nishimura, S., Matsumoto, T., Ishida, H., Kangawa, K., Minamino, N., Matsuo, H., Ueda, M., Hanaoka, M., Hirose, T. and Numa, S., Nature, 339 (1989) 439.
6. Zorzato, F., Fujii, J., Otsu, K., Phillips, M., Green, N.M., Lai, F.A., Meissner, G. and MacLennan, D.H., J. Biol. Chem., 265 (1990) 2244.
7. Sutko, J.L. and Airey, J.A., Physiol. Rev., 76 (1996) 1027.
8. Jefferies, P.R., Lam, W.-W., Toia, R.F. and Casida, J.E., J. Agric. Food Chem., 40 (1992) 509.
9. Ruest, L. and Dodier, M., Can. J. Chem., 74 (1996) 2424.
10. SYBYL v. 6.5, Tripos Associates, Inc., St. Louis, MO, USA.
11. Dewar, M.J.S., Zoebisch, E.G., Healy, E.F. and Stewart, J.J.P., J. Am. Chem. Soc., 107 (1985) 3902.
12. SPARTAN 4.1.1, Wavefunction, Irvine, CA, USA.
13. PrGen 1.5.6, Zbinden, P., Biographies Laboratory, Basel, Switzerland, 1997.
14. Zbinden, P., Dobler, M., Folkers, G. and Vedani, A., Quant. Struct-Act. Relat., 17 (1998) 122.
15. Vedani, A., Zbinden, P., Snyder, J.P. and Greenidge, P.A., J. Am. Chem. Soc., 117 (1995) 4987.
16. Still, W.C., Tempczyk, A., Hawley, R.C. and Hendrickson, T., J. Am. Chem. Soc., 112 (1990) 6127.
17. Searle, M.S. and Williams, D.H., J. Am. Chem. Soc., 114 (1992) 10690.
18. Welch, W., Ahmad, S., Airey, J.A., Gerzon, K., Humerickhouse, R.A., Besch, H.R. Jr, Ruest, L., Deslongchamps, P. and Sutko, J.L., Biochemistry, 33 (1994) 6074.
19. Ruest, L., Taylor, D.R. and Deslongchamps, P., Can. J. Chem., 63 (1985) 2840.
20. Kaye, P.T., Macrae, R., Meakins, D.D. and Patterson, C.H., J. Chem. Soc. Perkin II, (1980) 1631.
21. Waterhouse, A.L., Pessah, I.N., Francini, A.O. and Casida, J.E., J. Med. Chem., 30 (1987) 710.
22. Welch, W., Sutko, J.L., Mitchell, K.E., Airey, J. and Ruest, L., Biochemistry, 35 (1996) 7165.
23. Jefferies, P.R., Blumenkopf, T.A., Gengo, P.J., Cole, L.C. and Casida, J.E., J. Med. Chem., 39 (1996) 2331.
24. Jefferies, P.R., Gengo, P.J., Watson, M.J. and Casida, J.E., J. Med. Chem., 39 (1996) 2339.
25. Welch, W., Williams, A.J., Tinker, A., Mitchell, K.E., Deslongchamps, P., Lamothe, J., Gerzon, K., Bidasee, K.R., Besch, H.R. Jr, Airey, J.A., Sutko, J.L. and Ruest, L., Biochemistry, 36 (1997) 2939.