IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.

Bioorganic & medicinal chemistry letters ·Vol. 18 ·No. 11 ·2008-06-01 ·Pages 3291-5

Buckley GM, Ceska TA, Fraser JL, Gowers L, Groom CR, Higueruelo AP, Jenkins K, Mack SR, Morgan T, Parry DM, Pitt WR, Rausch O, Richard MD, Sabin V

Abstract

A potent IRAK-4 inhibitor was identified through routine project cross screening. The binding mode was inferred using a combination of in silico docking into an IRAK-4 homology model, surrogate crystal structure analysis and chemical analogue SAR.

MeSH Terms

Binding Sites Crystallography, X-Ray Drug Design Enzyme Inhibitors/chemical synthesis,chemistry,pharmacology Imidazoles/chemical synthesis,chemistry,pharmacology Interleukin-1 Receptor-Associated Kinases/antagonists & inhibitors Models, Molecular Molecular Conformation Molecular Structure Pyridines/chemical synthesis,chemistry,pharmacology Structure-Activity Relationship

Chemicals

Enzyme Inhibitors Imidazoles Pyridines Interleukin-1 Receptor-Associated Kinases

Authors & Affiliations

14 authors, click to expand affiliations / ORCID

Buckley George M

UCB, Granta Park, Great Abington, Cambridge CB21 6GS, UK.

Ceska Thomas A

Fraser Joanne L

Gowers Lewis

Groom Colin R

Higueruelo Alicia Perez

Jenkins Kerry

Mack Stephen R

Morgan Trevor

Parry David M

Pitt William R

Rausch Oliver

Richard Marianna D

Sabin Verity

Article Info

Journal

Bioorganic & medicinal chemistry letters

Abbr.

Bioorg Med Chem Lett

ISSN

1464-3405

DOI

10.1016/j.bmcl.2008.04.039

Published

2008-06-01

Epub

2008-00-22

Pages

3291-5

Language

English

Region

England

NLM ID

9107377

Subset

External Links

PubMed source DOI: 10.1016/j.bmcl.2008.04.039 View journal details

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IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.

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