Analysis Of Structure-Activity Relation for Primaquine Antimalarial Drugs by a Quantum Pharmacological Approach

Abstract

linear models for the electronic structure-activity relations of primaquines based on molecular orbital calculations and pharmacological data observed in laboratory animals have been investigated. The optimized models seem to allow an evaluation of the antimalarial activity of primaquine drugs from calculated electron distributions of atoms while at the same time give strong indications about the active center of these and related types of antimalarial drugs.