Literature DB >> 8786413

Molecular modelling and conformational analysis of a GABAB antagonist.

B Pirard1, F Durant.   

Abstract

Crystallographic database studies and molecular dynamics simulations in different media have enabled us to sample the conformational space of a GABAB antagonist. As a result, we have defined a pharmacophoric pattern for GABAB antagonists. This study has led us to compare the conformational preferences deduced from database studies and molecular dynamics simulations. The influence of the medium on the conformations has also been investigated.

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Year:  1996        PMID： 8786413     DOI： 10.1007/bf00124463

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  12 in total

1.  Derivation of force fields for molecular mechanics and dynamics from ab initio energy surfaces.

Authors:  J R Maple; U Dinur; A T Hagler
Journal:  Proc Natl Acad Sci U S A       Date:  1988-08       Impact factor: 11.205

2.  Benzofuran analogues of baclofen: a new class of central and peripheral GABAB-receptor antagonists.

Authors:  D I Kerr; J Ong; G A Johnston; P Berthelot; M Debaert; C Vaccher
Journal:  Eur J Pharmacol       Date:  1989-05-19       Impact factor: 4.432

Review 3.  GABAB receptor pharmacology.

Authors:  N G Bowery
Journal:  Annu Rev Pharmacol Toxicol       Date:  1993       Impact factor: 13.820

Review 4.  GABAB receptor antagonists: from synthesis to therapeutic applications.

Authors:  H Bittiger; W Froestl; S Mickel; H R Olpe
Journal:  Trends Pharmacol Sci       Date:  1993-11       Impact factor: 14.819

5.  Synthesis and pharmacological evaluation of gamma-aminobutyric acid analogues. New ligand for GABAB sites.

Authors:  P Berthelot; C Vaccher; A Musadad; N Flouquet; M Debaert; M Luyckx
Journal:  J Med Chem       Date:  1987-04       Impact factor: 7.446

6.  Comparative stereostructure-activity studies on GABAA and GABAB receptor sites and GABA uptake using rat brain membrane preparations.

Authors:  E Falch; A Hedegaard; L Nielsen; B R Jensen; H Hjeds; P Krogsgaard-Larsen
Journal:  J Neurochem       Date:  1986-09       Impact factor: 5.372

7.  Actions of 4-amino-3-(5-methoxybenzo(b)furan-2-yl) butanoic acid and 4-amino-3-benzo(b)furan-2-yl butanoic acid in the rat spinal cord.

Authors:  D L Hammond; M L Moy
Journal:  Eur J Pharmacol       Date:  1992-12-15       Impact factor: 4.432

8.  Differing actions of beta-(2-thienyl)-gamma-aminobutyric acid in central and peripheral preparations.

Authors:  J Ong; D I Kerr; P Berthelot; C Vaccher; N Flouquet; M Debaert
Journal:  Eur J Pharmacol       Date:  1992-10-06       Impact factor: 4.432

9.  3-Thienyl- and 3-furylaminobutyric acids. Synthesis and binding GABAB receptor studies.

Authors:  P Berthelot; C Vaccher; N Flouquet; M Debaert; M Luyckx; C Brunet
Journal:  J Med Chem       Date:  1991-08       Impact factor: 7.446

Review 10.  GABAB receptors in the lung.

Authors:  R W Chapman; J A Hey; C A Rizzo; D C Bolser
Journal:  Trends Pharmacol Sci       Date:  1993-01       Impact factor: 14.819
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