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.
Publication types
-
Comparative Study
-
Research Support, Non-U.S. Gov't
MeSH terms
-
Amino Acid Sequence
-
Animals
-
Benzodiazepines / chemistry
-
Benzodiazepines / pharmacology
-
Drug Design*
-
Electrochemistry
-
Glutamates / chemistry
-
Glutamates / pharmacology
-
In Vitro Techniques
-
Ligands
-
Models, Molecular
-
Molecular Conformation
-
Molecular Sequence Data
-
Molecular Structure
-
Rats
-
Receptors, Cholecystokinin / antagonists & inhibitors*
-
Tetragastrin / chemistry
-
Tetragastrin / pharmacology
-
Thermodynamics
Substances
-
Glutamates
-
Ligands
-
Receptors, Cholecystokinin
-
Tetragastrin
-
Benzodiazepines