Discovery of Some Potent PDHK Inhibitors Using Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies

A pharmacophore model has been generated and 3D-QSAR studies performed on a set of fifty fluorinated compounds having known activities for PDHK inhibition (IC­­ 50 values ranging from 0.1 µ mol L -1 to 100.0 µ mol L -1 ). Common pharmacophore hypotheses have been developed and a predictive atom based 3D-QSAR model is further generated for all the surviving hypotheses. All the statistical parameter…