The effectiveness of the hit identification process depends on the screening method and screening library quality. Typically, diversity analysis is utilized to select currently available covalent and noncovalent libraries with desirable properties. To select current covalent and noncovalent fragment libraries with desirable properties, diversity analysis is typically utilised. ChemPass' UFrag platform is based upon pharmacophore, shape and vector analysis of vast ligand binding data in the protein database and it combines several key technologies that are necessary to revolutionise fragment library design.
Conventional fragment libraries created through diversity analyses have been demonstrated to contain a significant number of redundant spacer and pharmacophore motifs, which leads to few to no hits against pockets of challenging targets and high hit rates of redundant rings for specific targets. The outcome is a significant danger of missed chances and a very varied experimental hit rate.
The platform's inherent customisation features allow the library design to target particular protein classes while minimising both the size of the library and the expense of synthetic materials. In order to confirm the notion, a test library was screened against a validated and hard target. The results showed that the test library produced a much higher hit rate and binding site coverage against the hard target than a standard fragment library.
Why UFrag™ library from Enamine & ChemPass?
- Higher success against tough targets.
- Less redundancy for easy targets.
- Superior pharmacophore analysis – better coverage, higher hit rates, fewer redundant compounds.
- Optimized fragment growth – improved hit rates and optimizability.
- More efficient vector analysis – fewer compounds, faster drug discovery.
- Short synthesis timelines, low costs, and high laboratory success rates.
