Abstract
High throughput screening revealed compound 1 as a potent antagonist of the CCK(1) receptor. Evaluation of the CCK(1) SAR in a series of these diarylpyrazole antagonists was conducted in a matrix synthesis format revealing additive (Free-Wilson) and non-additive SAR. This use of additive QSAR modeling in conjunction with combinatorial libraries represents a unique approach to the evaluation of SAR interactions between the variables of any combinatorial matrix.
MeSH terms
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Chemistry, Pharmaceutical / methods*
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Cholecystokinin / chemistry
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Combinatorial Chemistry Techniques
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Humans
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Hydrogen-Ion Concentration
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Models, Chemical
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Models, Statistical
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Peptide Library
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Pharmaceutical Preparations / chemistry
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Protein Binding
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Pyrazoles / chemistry*
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Receptor, Cholecystokinin A / antagonists & inhibitors*
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Structure-Activity Relationship
Substances
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Peptide Library
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Pharmaceutical Preparations
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Pyrazoles
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Receptor, Cholecystokinin A
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Cholecystokinin