Cysteine proteases are one of the most biologically important clusters of proteins involved in a variety of cell pathways. Being divided into 14 superfamilies, they are structurally different, however, sharing a common mechanism of action. Their unique role in protein degradation determines a broad distribution of cysteine proteases. It also implies a variability of active sites, as a result of the target folding specificity.
A similarity search was used as the most universal method to design the Cysteine Protease Targeted Library. A reference database of 9,618 biologically active compounds from assays related to cysteine proteases was compiled using the data available from patents and literature publications. Life Chemicals HTS Compound Ccollection was searched for compounds similar to the compounds from the reference database using MDL public keys and the Tanimoto similarity cut-off of 90 %.
As a result, 3,200 screening compounds were included in the Life Chemicals Cysteine Protease Focused Library.
Figure 1. Compound analogues from the Cysteine Protease Focused Library which are similar to known cysteine protease inhibitors.