Summary
A model of the mechanism for recognition of the D1 receptor has been developed. Conformational analysis for 10 agonists from diverse chemical families was carried out as a first step toward the characterization of the bioactive form. First, maximum structural overlap of the features common to all ligands allowed a simple identification of the candidate bioactive form for each ligand. At a second level of characterization, steric and electronic properties were computed for all accessible structures to analyze those properties that may modulate receptor recognition.
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Alkorta, I., Villar, H.O. Considerations on the recognition of the D1 receptor by agonists. J Computer-Aided Mol Des 7, 659–670 (1993). https://doi.org/10.1007/BF00125324
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DOI: https://doi.org/10.1007/BF00125324