Design of Selective Inhibitors of Tyrosine Kinase 2
Selective inhibitors of tyrosine kinase 2 (Tyk2) were searched for using database screening, de novo ligand design and computational docking in Tyk2 and seven other protein kinases. None of the structures in the National Cancer Institute database seem to inhibit Tyk2 selectively, but five of the designed structures seem promising.
Keywords: Tyrosine kinase, Protein Alpha Shape Similarity Analysis (PASSA), Protein Alpha Shape (PAS) Dock, inhibitor design, selectivity, database screening
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