APPROXEMATE MOLECULAR ELECTROSTATIC POTENTIALS OF PROTONATED MESCALINE ANALOGUES

Abstract

The molecular electrostatic potential maps of five protonated phenylethylamines have been calculated and compared with that of protonated serotonin. Protonation leads to a very similar potential área around the amine chain in all the molecules suggesting that this región may serve for the orientation and / or the interaction with the serotonergic receptor. It was not possible to obtain a qualitative relation between hallucinogenic potency and electrostatic potential valúes.