1 research outputs found
De Novo Fragment Design: A Medicinal Chemistry Approach to Fragment-Based Lead Generation
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