ASK1 pharmacophore model derived from diverse classes of inhibitors.

  title={ASK1 pharmacophore model derived from diverse classes of inhibitors.},
  author={Sergiy A. Starosyla and Galyna P Volynets and Volodymyr G. Bdzhola and Andriy G. Golub and Mykola V. Protopopov and Sergiy Mikolayovych Yarmoluk},
  journal={Bioorganic & medicinal chemistry letters},
  volume={24 18},
The three-dimensional pharmacophore model of apoptosis signal-regulating kinase 1 (ASK1) inhibitors has been developed with PharmaGist program. The positions of pharmacophore features in the model correspond to conformations of ASK1 highly active inhibitors in which they interact with ATP-binding site of ASK1. The generated pharmacophore model allows accurately predict active and inactive compounds and can be of great use for virtual screening aimed at discovering novel ASK1 inhibitors. 

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