AbstractGeometry optimization for each member of a series of 15 substituted phenethylamines with reported psychotomimetic activity was performed using MM2 and MOPAC93 (AM1) methods. This was followed by calculation of previously developed, numerically unitary structure indices, viz., the molecular transform indices FTm, FTe, and FTc, indicating general, electronic, and charge properties...
In investigations of the molecular determinants for the recognition of drugs by a serotonin (5-HT) receptor in the brain, the commonality in the reactivity patterns of 5-HT congeners has been identified. On this basis a mechanistic hypothesis is proposed to explain the rank order of the affinity of drugs that bind to the receptor shared by 5-HT and LSD (the 5-HT/LSD receptor). This hypothesis...