Talk Abstract

April 24-26, 2006
CHI Drug Discovery Chemistry

In Silico Fragement-Based Design

James H Wikel, Coalesix Inc., Cambridge, MA

Fragment based drug design using physical methods including NMR or x-ray crystallography are useful methods to identify molecular fragments with low molecular weight and low binding affinity. However these methods involve the use of expensive and time intensive resources. We will present an effective in silico method used to identify fragments that when combined offer a promise of not only biological activity but also acceptable druglike properties.