| abstract |
The present invention provides bioinformatics methods for predicting efficient protein inhibitors, compounds synthesized based on the methods and uses thereof, the method including identifying a BRD2 inhibitor by performing a pharmacophore-based search to produce a first plurality of candidate agents, applying a docking method to the first plurality of candidate agents to output a second plurality of candidate agents to provide at least one BRD2 inhibitor which are 2-acetyl-N,N,3-trisubstituted-5-[(substituted sulfonyl)substituted]imidazole-4-carboxamide and 1-{1,3,4-trisubstituted-5-[(substituted sulfonyl)substituted]-1H-pyrrol-2-yl}ethan-1-one, configured to inhibit the BRD2 protein. |