| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1368841 | Bioorganic & Medicinal Chemistry Letters | 2014 | 6 Pages |
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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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Sergiy A. Starosyla, Galyna P. Volynets, Volodymyr G. Bdzhola, Andriy G. Golub, Mykola V. Protopopov, Sergiy M. Yarmoluk,