Molecular Optimization of Calcineurin Inhibitors for Prion Disease : A Pharmacophore Study

This study mainly emphasizes on pharmacophore features available in the immunosuppressant drugs, especially Calcineurin inhibitors for human prion diseases. The structural and functional properties of FK506/Tacrolimus - a drug used for treatment of human prion diseases were enhanced through pharmacophore-assisted molecular optimization approach. Important pharmacophore features responsible for interaction with active site and intramolecular structural stability were elucidated.