This fragment-based drug discovery library is designed to be sociable

Researchers have developed a fragment library for drug discovery featuring what they describe as ‘sociable’ three-dimensional fragments. These fragments contain functional groups that make it easier for medicinal chemists to transform initial hits into viable lead compounds. Additionally, the three-dimensionality of the fragments means they can enable exploration of previously underexplored regions of chemical space.

Fragment-based drug discovery gained popularity in the 1990’s and is now an established approach for identifying hit molecules in the early stages of drug development. Fragment libraries have traditionally been populated with flat, two-dimensional molecules. However, there is growing interest in creating libraries of three-dimensional fragments, which offer broader coverage of chemical space and can engage more selectively with protein targets, potentially reducing off-target effects.