Identification of novel ASK1 inhibitors using virtual screening

Masako Okamoto; Nae Saito; Hirotatsu Kojima; Takayoshi Okabe; Kohsuke Takeda; Hidenori Ichijo; Toshio Furuya; Tetsuo Nagano

doi:10.1016/j.bmc.2010.11.004

Identification of novel ASK1 inhibitors using virtual screening

Bioorg Med Chem. 2011 Jan 1;19(1):486-9. doi: 10.1016/j.bmc.2010.11.004. Epub 2010 Nov 12.

Authors

Masako Okamoto¹, Nae Saito, Hirotatsu Kojima, Takayoshi Okabe, Kohsuke Takeda, Hidenori Ichijo, Toshio Furuya, Tetsuo Nagano

Affiliation

¹ Drug Discovery Department, Research & Development Division, PharmaDesign, Inc., 2-19-8 Hatchobori, Chuo-ku, Tokyo 104-0032, Japan. okamoto@pharmadesign.co.jp

PMID: 21134755
DOI: 10.1016/j.bmc.2010.11.004

Abstract

Apoptosis signal-regulating kinase 1 (ASK1, also called MAP3K5) is a mitogen-activated protein kinase kinase kinase (MAP3K) that plays important roles in stress-induced cell death and inflammation, and is expected as a new therapeutic target for cancer, cardiovascular diseases, and neurodegenerative diseases. We identified novel ASK1 inhibitors by virtual screening from the public chemical library collected by Chemical Biology Research Initiative (CBRI) at the University of Tokyo.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Chromatography, High Pressure Liquid
Ligands
MAP Kinase Kinase Kinase 5 / antagonists & inhibitors*
Mass Spectrometry
Models, Molecular
Protein Kinase Inhibitors / chemistry
Protein Kinase Inhibitors / pharmacology*

Substances

Ligands
Protein Kinase Inhibitors
MAP Kinase Kinase Kinase 5