Considerations on the recognition of the D1 receptor by agonists |
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| Authors: | Ibon Alkorta Hugo O Villar |
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| Institution: | (1) Molecular Research Institute, 845 Page Mill Road, 94304 Palo Alto, CA, U.S.A.;(2) Present address: Terrapin Technologies Inc., 750-H Gateway Blvd., 94080 South San Francisco, CA, U.S.A. |
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| Abstract: | 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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| Keywords: | Pharmacophore Dopamine Molecular dynamics AM1 Sterimol parameters |
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