ABSTRACT
In this chapter, the authors show that the molecular reactivity criteria for 5-hydroxytryptamine (HT)-like recognition can be generalized to lysergic acid diethylamide (LSD) derivatives. The elements of molecular recognition at 5-HT receptors stems from their search for the molecular determinants for the actions of hallucinogens. An unexpected opportunity to test the theoretical hypothesis regarding the role of the electrostatic properties of the double bond region in determining a 5-HT-like recognition pattern of indole derivatives was offered by the publication of some novel LSD derivatives designed to investigate the actions of ergolines on dopamine receptors. The authors analyze the specific changes in electronic structure caused by the formation of the model drug-receptor complex to reveal the primary molecular events of a proposed mechanism of the activation of a 5-HT receptor. The simulation of interactions between 5-HT congeners and imidazolium — which served to test the recognition process — also yielded information on the consequences of complexation.
