ASK1 Pharmacophore Model Derived from Diverse Classes of Inhibitors

Our manuscript on ASK1 pharmacophore model derived from diverse classes of inhibitors has been published in Bioorganic and Medicinal Chemistry Letters

Abstract: The three-dimensional pharmacophore model of apoptosis-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.

• ASK1 pharmacophore model derived from diverse classes of inhibitors Starosyla SA, Volynets GP, Bdzhola VG, Golub AG, Protopopov MV, Yarmoluk SM. Bioorg Med Chem Lett. 2014, DOI: 10.1016/j.bmcl.2014.08.011.