Molecular modeling of sigma receptor ligands: A model of binding based on conformational and electrostatic considerations
Tóm tắt
Từ khóa
Tài liệu tham khảo
W.R. Martin, C.G. Ea, J.A. Thompson, R.E. Huppler and P.E. Gilbert, J. Pharmacol. Exp. Ther. 197 (1976) 517.
A.S. Keats and J. Telford, in:Molecular Modification in Drug Design: Advances in Chemistry, ed. R.F. Gould (Amer. Chem. Soc., Washington, DC, 1967), p. 170.
J.H. Jaffe and W.R. Martin, in:The Pharmacological Basis of Therapeutics, ed. A.G. Gilman, L.S. Goodman and A. Gilman (Macmillan, New York, 1980), p. 494.
J.P. Vincent, B. Kartalovski, P. Geneste, J.M. Kamenka and M. Lazdinski, Proc. Natl. Acad. Sci. 76 (1979) 4678;
TP. Su, J. Pharmacol. Exp. Ther. 223 (1982) 284;
R. Quirion, R. Chicheportiche, P.C. Contreras, K.M. Johnson, D. Lodges, S.W. Tam, J.H. Woods and S.R. Zukin, Trends in Neuroscience 10 (1987) 444.
E.H.F. Wong, J.A. Kemp, T. Priestley, A.R. Knight, G.N. Woodruff and L. Iversen, Proc. Natl. Acad. Sci. 83 (1986) 7104.
E.W. Weber, M. Sonders, m. Quarum, S. McLean, S. Pou and J.F.W. Keana, Proc. Natl. Acad. Sci. USA Neurobiology 83 (1986) 8784.
B.G. Campbell, D.H. Bobker, F.M. Leslie, I.N. Mefford and E. Weber, Eur. J. Pharmacol. 138 (1987) 447.
B.L. Largent, H. Wikstrom, L. Gundlack and S.H. Snyder, Mol. Pharmacol. 32 (1987) 772.
D.T. Manallack, M.G. Wong, M. Costa, P.R. Andrews and P.M. Beart, Mol. Pharmacol. 34 (1988) 863.
D.T. Mannallack and P.M. Beart, Eur. J. Chem. 144 (1987) 231.
T.P. Su, K. Shukla and T. Gund,Ciba Foundation Symp. 153 on Steroid and Neuronal Activity, ed. D.J. Chadwick (Wiley, Chichester, UK, 1990).
N.L. Allinger and Y.H. Yuh, Quantum Chemistry Program Exchange, Program No. 395 (1980).
U. Burkert and N.L. Allinger,Molecular Mechanics, ACS Monograph 177 (1982), p. 1.
TRIPOS Associates, St. Louis, MO, USA.
Chemical Design, Oxford, UK.
J.A. Waters, C.E. Spivak, M. Hermsmeier, J.S. Yadav, R.F. Liang and T.M. Gund, J. Med. Chem. 31 (1988) 545;
J.A. Waters, C.E. Spivak, M. Hermsmeier, J.S. Yadav, W.C. Shang and T.M. Gund, J. Med. Chem., 32 (1989) 529;
Review: T.M. Gund and P.H. Gund,Molecular Structures and Energetics, Vol. 4, ed. J. Liebman and A. Greenberg (VCH Publ., 1986), p. 319.
M.J.S. Dewar, University of Texas, Houston, TX, MOPAC program available from the Quantum Chemistry Program Exchange.
P. Politzer,Chemical Applications of Atomic and Molecular Electrostatic Potentials, ed. P. Politzer and D.G. Truhbar Plenum, New York, 1981), p. 1.
J.S. Binkely, R.A. Whiteside, R. Kirshnan, R. Seeger, DJ. Defrees, H.B. Schlegel, S. Topiol, L.R. Kahn and J.A. Pople, Gaussian 80, QCPE (1980), Bull. 2 (1982) 17.
U.C. Singh and P. Kollman, Gaussian 80, CUSF QCPE, Program.
J.S. Yadav, M. Hermsmeier and T. Gund, Int. J. Quant. Chem. Quant. Biol. Symp. 16 (1989) 101.
D. Taylor, Bristol-Myers Pharmaceutical Corp. private communication.