Topics and Expertise: fragment

Graphic depiction of a typical DOCK setup used toward the discovery of a potential disease inhibitor—in this case, testing compounds for binding to an HIV protein.

Protease enzymes of the Kaposi’s sarcoma-associated herpesvirus (KSHV Pr) require two monomer proteins to combine into a dimer in order to activate. Dotted black box is the protein-protein interface targeted for disruption by Craik Lab researchers. (Colored balls represent amino acids—methionines—labeled to help determine if screened fragments inhibit dimerization.)