Quantitative conformational analyses predict distinct receptor sites for PCP-like and σ drugs

Abstract

Computer-assisted molecular modelling techniques have been employed to develop receptor models for the phencyclidine (PCP) and σ binding sites. The models differ in the position of the nitrogen atom, direction of the nitrogen-lone pair vector and in the location and nature of secondary binding groups. This study predicts the existence of distinct receptors for σ and PCP ligands, and our receptor models can be used to design and predict the activity of drugs with PCP and/or σ activity.