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Structure-activity relationships for apomorphine congeners. Conformational energies vs. biological activities

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Summary

A series of apomorphine congeners has been studied with respect to their ability to mimic the structural requirements of the dopamine pharmacophore in the potent and stereoselective dopamine receptor agonist (R)-apomorphine. Conformational energies of the mimicking structures calculated by molecular mechanics (MMP2) correlate well with the observed biological activities.

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Pettersson, I., Liljefors, T. Structure-activity relationships for apomorphine congeners. Conformational energies vs. biological activities. J Computer-Aided Mol Des 1, 143–152 (1987). https://doi.org/10.1007/BF01676958

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  • DOI: https://doi.org/10.1007/BF01676958

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