National Center for
4IH7: Hepatitis C Virus Polymerase Ns5b (bk) With Fragment-based Compounds
J. Med. Chem. (2013) 56 p.3115-3119
The use of fragments with low binding affinity for their targets as starting points has received much attention recently. Screening of fragment libraries has been the most common method to find attractive starting points. Herein, we describe a unique, alternative approach to generating fragment leads. A binding model was developed and a set of guidelines were then selected to use this model to design fragments, enabling our discovery of a novel fragment with high LE.