1. ASK1 pharmacophore model derived from diverse classes of inhibitors.
- Author
-
Starosyla SA, Volynets GP, Bdzhola VG, Golub AG, Protopopov MV, and Yarmoluk SM
- Subjects
- Dose-Response Relationship, Drug, Drug Evaluation, Preclinical, Humans, MAP Kinase Kinase Kinase 5 metabolism, Models, Molecular, Molecular Conformation, Protein Kinase Inhibitors chemical synthesis, Protein Kinase Inhibitors chemistry, Structure-Activity Relationship, MAP Kinase Kinase Kinase 5 antagonists & inhibitors, Protein Kinase Inhibitors pharmacology
- 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., (Copyright © 2014 Elsevier Ltd. All rights reserved.)
- Published
- 2014
- Full Text
- View/download PDF