Client: US based Pharma

Challenge:

The client required us identify all the possible binding sites on proteins and the potential leads.

Strand’s Solution: 

Using a site-directed drug design software, we devised a fast and automated method to enumerate binding sites and identify compounds with an affinity towards them. The following information related to the protein were discovered for the client using homology and threading methods:

• Structure prediction
• Identification and characterization of all cavities on a protein
• Complementary descriptors and pharmacophore hypotheses for the cavities

A compound database search was done to identify potential lead molecules.