Structure-activity relationships for apomorphine congeners. Conformational energies vs. biological activities.
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.
D001058:Apomorphine / Q000031:analogs & derivatives*; D003196:Computer Graphics; D003198:Computer Simulation; D015195:Drug Design; D008968:Molecular Conformation; D011954:Receptors, Dopamine; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D011954:Receptors, Dopamine; D001058:Apomorphine