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  • Title: Quantitative structure-activity relationship study on some nonpeptidal cholecystokinin antagonists.
    Author: Sinha J, Kurup A, Paleti A, Gupta SP.
    Journal: Bioorg Med Chem; 1999 Jun; 7(6):1127-30. PubMed ID: 10428383.
    Abstract:
    A quantitative structure-activity relationship (QSAR) analysis has been performed on a series of 1,4-benzodiazepine derivatives, which were found to act as antagonists of cholecystokinin (CCK), a gastrointestinal peptide hormone. The CCK acts with three different receptor subtypes termed as CCK-A, CCK-B, and gastrin receptor, which can be found in peripheral system, brain, and stomach, respectively. With all the three subtypes, the binding of the compounds is found to significantly depend on the lipophilicity of the compounds and their ability to form the hydrogen bonds with the receptor. However, the binding sites in CCK-A receptor seem to be slightly rigid as compared to those in CCK-B or gastrin receptor. The latter two appear to have similar binding features.
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