Hit identification

We have a significant experience in advanced methods in the virtual screening thus discovering in a fast manner new potential leads for any target protein. Despite, the standard approaches we currently use our own novel method, which combines the structure based pharmacophore and docking virtual screens. This approach has been tested on both DUD-E set and in a frame of real live drug discovery projects. For instance, we discovered series of new lead inhibitors of Glycine transporters (GLYT2) and AKT1 kinase. Notably, we identified many leads using MD retrieved structures which had a sub micromole activity and also great selectivity. Papers about these studies are on the way.

In all studied cases the hit ligands identification success rate was more than 70%.

IN SILICO DRUG DESIGN

LEAD OPTIMIZATION



$ 9 999 * per project
  • * + part of IP
  • in vitro test not included
  • ($95 per 1 permutation)
  • Using Traditional in silico
  • Using power of AI
More information Order now by email: partner@eDrugDesign.com

IN SILICO DRUG DESIGN

CHANGES IN THE LIGAND BINDING AFFINITY AND SELECTIVITY INTRODUCED BY POINT MUTATIONS

$ 5 999 * per project
  • * + part of IP
  •  
  • ($165 per 1 mutation)
  • Using Traditional in silico
  • Using power of AI
More information Order now by email: partner@eDrugDesign.com

Try our in silico Drug Design Services

Please see our in silico Drug Design Services & Prices