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  • Title: Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase.
    Author: Pierce AC, Jacobs M, Stuver-Moody C.
    Journal: J Med Chem; 2008 Mar 27; 51(6):1972-5. PubMed ID: 18290603.
    Abstract:
    To supplement the hits from a high throughput screen, docking was performed against Pim-1 kinase. Glide docking was augmented with a filter to require traditional or aromatic CH..O hydrogen bonds to the kinase hinge. Four diverse actives, of 96 molecules assayed, had K(i) values between 0.091 and 4.5 microM. This gives a 14-fold enrichment over the earlier HTS run, and the two crystal structures solved confirmed the binding modes predicted by docking.
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