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  • Title: ASK1 pharmacophore model derived from diverse classes of inhibitors.
    Author: Starosyla SA, Volynets GP, Bdzhola VG, Golub AG, Protopopov MV, Yarmoluk SM.
    Journal: Bioorg Med Chem Lett; 2014 Sep 15; 24(18):4418-4423. PubMed ID: 25172422.
    Abstract:
    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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