Literature DB >> 1291625

Comparative molecular field analysis of CCK-A antagonists using field-fit as an alignment technique. A convenient guide to design new CCK-A ligands.

S Rault1, R Bureau, J C Pilo, M Robba.   

Abstract

Comparative molecular field analysis (CoMFA) has been used as a three-dimensional quantitative structure-activity relationship (QSAR) method to correlate the affinities of several antagonists towards CCK-A receptors with their steric and electrostatic fields. In this publication, we describe, for the first time, a field-fit operation as an alignment technique. These results could serve as a guide for the design of new non-peptide antagonists.

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Year:  1992        PMID： 1291625     DOI： 10.1007/bf00126214

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


  19 in total

1.  Novel glutamic acid derived cholecystokinin receptor ligands.

Authors:  R M Freidinger; W L Whitter; N P Gould; M K Holloway; R S Chang; V J Lotti
Journal:  J Med Chem       Date:  1990-02       Impact factor: 7.446

2.  A potent nonpeptide cholecystokinin antagonist selective for peripheral tissues isolated from Aspergillus alliaceus.

Authors:  R S Chang; V J Lotti; R L Monaghan; J Birnbaum; E O Stapley; M A Goetz; G Albers-Schönberg; A A Patchett; J M Liesch; O D Hensens
Journal:  Science       Date:  1985-10-11       Impact factor: 47.728

3.  Asperlicin, a novel non-peptidal cholecystokinin antagonist from Aspergillus alliaceus. Structure elucidation.

Authors:  J M Liesch; O D Hensens; J P Springer; R S Chang; V J Lotti
Journal:  J Antibiot (Tokyo)       Date:  1985-12       Impact factor: 2.649

Review 4.  Cholecystokinin receptor antagonists: a review.

Authors:  M A Silverman; R E Greenberg; S Bank
Journal:  Am J Gastroenterol       Date:  1987-08       Impact factor: 10.864

5.  Benzodiazepine gastrin and brain cholecystokinin receptor ligands: L-365,260.

Authors:  M G Bock; R M DiPardo; B E Evans; K E Rittle; W L Whitter; D E Veber; P S Anderson; R M Freidinger
Journal:  J Med Chem       Date:  1989-01       Impact factor: 7.446

6.  Asperlicin, a novel non-peptidal cholecystokinin antagonist from Aspergillus alliaceus. Fermentation, isolation and biological properties.

Authors:  M A Goetz; M Lopez; R L Monaghan; R S Chang; V J Lotti; T B Chen
Journal:  J Antibiot (Tokyo)       Date:  1985-12       Impact factor: 2.649

7.  Two brain cholecystokinin receptors: implications for behavioral actions.

Authors:  T H Moran; P H Robinson; M S Goldrich; P R McHugh
Journal:  Brain Res       Date:  1986-01-01       Impact factor: 3.252

Review 8.  Minireview. The ascent of cholecystokinin (CCK) - from gut to brain.

Authors:  J E Morley
Journal:  Life Sci       Date:  1982-02-07       Impact factor: 5.037

9.  Calculation of the relative change in binding free energy of a protein-inhibitor complex.

Authors:  P A Bash; U C Singh; F K Brown; R Langridge; P A Kollman
Journal:  Science       Date:  1987-01-30       Impact factor: 47.728

10.  Isolation, characterization, and purification to homogeneity of an endogenous polypeptide with agonistic action on benzodiazepine receptors.

Authors:  A Guidotti; C M Forchetti; M G Corda; D Konkel; C D Bennett; E Costa
Journal:  Proc Natl Acad Sci U S A       Date:  1983-06       Impact factor: 11.205
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  4 in total

1.  A ligand's-eye view of protein binding.

Authors:  Robert D Clark
Journal:  J Comput Aided Mol Des       Date:  2008-01-24       Impact factor: 3.686

2.  Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency.

Authors:  R T Kroemer; P Hecht
Journal:  J Comput Aided Mol Des       Date:  1995-06       Impact factor: 3.686

3.  Homology model directed alignment selection for comparative molecular field analysis: application to photosystem II inhibitors.

Authors:  M Jalaie; J A Erickson
Journal:  J Comput Aided Mol Des       Date:  2000-02       Impact factor: 3.686

4.  Drug design for ever, from hype to hope.

Authors:  G Seddon; V Lounnas; R McGuire; T van den Bergh; R P Bywater; L Oliveira; G Vriend
Journal:  J Comput Aided Mol Des       Date:  2012-01-18       Impact factor: 3.686
  4 in total

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