Publication Abstract from PubMed
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.
Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase.,Pierce AC, Jacobs M, Stuver-Moody C J Med Chem. 2008 Mar 27;51(6):1972-5. Epub 2008 Feb 22. PMID:18290603[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
