Field Alignment Studies on a Series of Piperazine Based CNS Active Agents

Abstract

Field alignment studies have been carried out on a series of piperazine based agent with central nervous systemactivity with respect to a set of standard atypical antipsychotics. This alignment method takes into account the local extrema of electrostatic, vander Waals and hydrophobic potentials of the molecule termed as 'field points' or 'extended pharmacophores' and aligns the molecules based on the relative positioning of these points. The standard drugs taken for the study included the dibenzodiazepine derivative clozapine and some other drugs with extended chain structure ketanserin, ziprasidone and risperidone. The three dimensional similarity of the molecules to the standard drugs based on their field scores and shape scores has been computed. The results obtained were found to agree with the physicochemical similarity of the compounds reported earlier.