Discovery of protein phosphatase 2C inhibitors by virtual screening.

  title={Discovery of protein phosphatase 2C inhibitors by virtual screening.},
  author={Jessica P Rogers and Albert E Beuscher and Marc Flajolet and Thomas McAvoy and Angus C. Nairn and Arthur J. Olson and Paul Greengard},
  journal={Journal of medicinal chemistry},
  volume={49 5},
Protein phosphatase 2C (PP2C) is an archetype of the PPM Ser/Thr phosphatases, characterized by dependence on divalent magnesium or manganese cofactors, absence of known regulatory proteins, and resistance to all known Ser/Thr phosphatase inhibitors. We have used virtual ligand screening with the AutoDock method and the National Cancer Institute Diversity Set to identify small-molecule inhibitors of PP2Calpha activity at a protein substrate. These inhibitors are active in the micromolar range… CONTINUE READING

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