Our Ligand Discovery process is the first module in our flexible custom chromatography adsorbent program. We use a variety of approaches depending on the information available, such as the target protein structure, binding site and known ligands or inhibitors.
The development of completely new ligands has analogies with the development of novel drug compounds. We have adapted the computational techniques used in the search for novel drugs to inform a number of stages in the affinity ligand design process, and to gain an understanding of both the target protein and adsorbent interactions.
We have extensive knowledge of in silico modelling techniques, successfully applying its bioinformatics modelling suite to identify lead candidate adsorbents in a variety of projects.
We use a range of techniques for custom Ligand Discovery, including:
- Diverse or focused ligand selection from virtual ‘chemical space’ (Chemical Combinatorial Library CCL® ~100,000 triazine based ligands).
- Evaluating potential binding sites using structural/functional importance and blind docking ‘roaming’ of ligands to target protein (using crystallographic information).
- Screening designed combinatorial libraries to further explore surrounding chemical space of lead screening hits.
- Investigating the effects of support, spacer arm and surface chemistry on binding interactions by molecular dynamic modelling.
Once a suitable ligand has been identified, the next steps are to move to the Development module, where the focus is on optimising the capacity and use of the adsorbent. The final Deliver module includes Tech Transfer, to enable commercial scale adsorbent manufacture at our production facility, under GMP conditions. We can also deliver the custom adsorbent pre-packed in GMP Ready columns.