Analysis of Subpocket Selectivity and Identification of Potent Selective Inhibitors for Matriptase and Matriptase‑2
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https://figshare.com/articles/dataset/Analysis_of_Subpocket_Selectivity_and_Identification_of_Potent_Selective_Inhibitors_for_Matriptase_and_Matriptase_2/2045382
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资源简介：
We
studied the factors affecting the selectivity of peptidomimetic
inhibitors of the highly homologous proteases matriptase and matriptase-2
across subpockets using 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.
创建时间：
2015-12-17
