Fragment-Based Drug Discovery

WuXi AppTec offers a very diverse technology platform that facilitates target validation, enables fast hit finding, hit confirmation, and supports lead series optimization.

Efficient sampling of chemical space

A diverse set of 1000 fragments represents its chemical space about as effectively as would 10 trillion diverse drug-sized molecules

Ideally suited for targeting PPIs

They can bind to small pockets available on the protein surface

Small pockets on protein surface, FBDD, fragment screening PPI protein-protein interactions, high hit rates

Predictor of protein druggability

Obtaining high hit rates is an excellent predictor that high-affinity, small molecule ligands can be identified.

Low hit rates (< 0.1%) strongly suggest an undruggable pocket.

Protein druggability, FBDD, fragment screening PPI protein-protein interactions, high hit rate

Often unique binding profiles

High-quality interactions between fragment and target

Small pockets on protein surface, unique binding profiles, FBDD, fragment screening PPI

Chemical optimization

Ability to optimize pharmacokinetics profile simultaneously with potency as fragment hit grows to clinical candidate.

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Fragment Screening Options

Fragment screen, NMR, TRIC, MST, SPR, x-ray crystallography, ligand, structure, fragment-to-hit

Example Workflow

Fragment screen, NMR, TRIC, MST, SPR, x-ray crystallography, ligand, nanoDSF, DSF, ITC, hit validation
Learn more about our structural biology services