New Publication: Analysis of Subpocket Selectivity and Identification of Potent Selective Inhibitors for Matriptase and Matripta By: Rafael Najmanovich December 11 2014
We studied the factors affecting the selectivity of peptidomimetic inhibitors of the highly homologous proteases matriptase and matriptase-2 across subpockets using covalent docking simulations. We observed that the farther away a subpocket is located from the catalytic site, the more pronounced its role in selectivity. As a result of our exhaustive virtual screening, we biochemically validated novel potent and selective inhibitors of both enzymes. (Read more).