Developing New Chemotherapeutic Agents Against Bone Resorption and Parasitic Diseases Through Computer -Aided Drug Design

Abstract

Using the above mentioned 3D-QSAR methods we have developed predictive models of the inhibition of human farnesyl pyrophosphate synthase (FPPS), important for osteoclast function and survival as well as Trypanosoma brucei FPPS, soluble vacuolar pyrophosphatase and phosphoglycerate kinase, all important for the proliferation of Trypanosoma brucei, the causative agent of African sleeping sickness. These predictive models aid in optimizing existing inhibitors and ultimately designing novel ones.