Fragment Screening

A robust workflow for hit generation

Libraries:

  • NovA-Frag:

This library of about 1000 fragments combines the shape diversity (enriched in Fsp3) of the Natural Fragment Library1, complemented by the coverage of lead-like diversity space of fragments derived from approved drugs (Prestwick Drug-Fragment Library).

  • External Libraries:

We can also screen the customer’s own library or commercial libraries, including libraries with compounds that bind covalently, on our biophysical platforms.

NMR based NovAliX fragment screening workflow for hit generation:

  1. Screening by NMR: Target production | Multiple NMR readouts : Saturation transfer difference (STD) , water LOGSY, relaxation, 1D direct | Screening carried out using 800 MHz magnet
  2. Biophysical validation: Orthogonal validation by native ESI-MS or SPR | Structure determination by X-ray crystallography| Thermodynamics parameters measurement by isothermal calorimetry and surface plasmon resonance (ITC/SPR)
  3. Hit expansion: Chemical design and synthesis | Scaffold hopping | Calculation of drug-likeness
  4. Hits qualification: Determination of affinity and activity

Similar processes are in place at NovAliX using MS technology instead of NMR as the primary screening technique.

Would you like more information?

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