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PMID: 15771432 Published · ppublish English Journal Article

Checkpoint kinase inhibitors: SAR and radioprotective properties of a series of 2-arylbenzimidazoles.

Journal of medicinal chemistry ·Vol. 48 ·No. 6 ·2005-03-24 ·Pages 1873-85

Arienti KL, Brunmark A, Axe FU, McClure K, Lee A, Blevitt J, Neff DK, Huang L, Crawford S, Pandit CR, Karlsson L, Breitenbucher JG

Abstract

The discovery of a series of novel, potent, and highly selective inhibitors of the DNA damage control kinase chk2 is disclosed. Here we report the first SAR study around inhibitors of this kinase. High-throughput screening of purified human chk2 led to the identification of a novel series of 2-arylbenzimidazole inhibitors of the kinase. Optimization was facilitated using homology models of chk2 and docking of inhibitors, leading to the highly potent 2-arylbenzimidazole 2h (IC(50) 15 nM). Compound 2h is an ATP-competitive inhibitor of chk2 that dose dependently protects human CD4(+) and CD8(+) T-cells from apoptosis due to ionizing radiation. This work suggests that a selective small molecule inhibitor of chk2 could be a useful adjuvant to radiotherapy, increasing the therapeutic window of such treatment.

MeSH Terms
Adenosine Triphosphate/chemistry Apoptosis/drug effects Benzimidazoles/chemical synthesis,chemistry,pharmacology Binding Sites CD4-Positive T-Lymphocytes/cytology,radiation effects CD8-Positive T-Lymphocytes/cytology,radiation effects Checkpoint Kinase 2 DNA Damage Gamma Rays Humans In Vitro Techniques Models, Molecular Phenyl Ethers/chemical synthesis,chemistry,pharmacology Protein Serine-Threonine Kinases/antagonists & inhibitors,chemistry Radiation-Protective Agents/chemical synthesis,chemistry,pharmacology Structure-Activity Relationship
Chemicals
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxylic acid amide Benzimidazoles Phenyl Ethers Radiation-Protective Agents Adenosine Triphosphate Checkpoint Kinase 2 CHEK2 protein, human Protein Serine-Threonine Kinases
Authors & Affiliations
12 authors, click to expand affiliations / ORCID
Arienti Kristen L
Johnson & Johnson Pharmaceutical Research and Development, L.L.C., 3210 Merryfield Row, San Diego, California 92121, USA.
Brunmark Anders
Axe Frank U
McClure Kelly
Lee Alice
Blevitt Jon
Neff Danielle K
Huang Liming
Crawford Shelby
Pandit Chennagiri R
Karlsson Lars
Breitenbucher J Guy
Article Info
Journal
Journal of medicinal chemistry
Abbr.
J Med Chem
ISSN
0022-2623
Published
2005-03-24
Pages
1873-85
Language
English
Region
United States
NLM ID
9716531
Subset
IM
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