Templates for design of inhibitors for serine proteases: Application of the program dock to the discovery of novel inhibitors for thrombin

The program DOCK was used to search for novel inhibitors for α-thrombin. Four among the top twelve best scoring compounds from the Cambridge Structural Data Base inhibited this enzyme, and three of them inhibited α-thrombin in a competitive mode. These molecules are expected to serve as general templates for structural elaboration in targeting diverse serine proteases for selective inhibition.