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

被引：47

作者：

Buckley, George M. ^{[1
]}

Ceska, Thomas A. ^{[2
]}

Fraser, Joanne L. ^{[1
]}

Gowers, Lewis ^{[1
]}

Groom, Colin R. ^{[1
]}

Higueruelo, Alicia Perez ^{[1
]}

Jenkins, Kerry ^{[1
]}

Mack, Stephen R. ^{[1
]}

Morgan, Trevor ^{[1
]}

Parry, David M. ^{[1
]}

Pitt, William R. ^{[1
]}

Rausch, Oliver ^{[1
]}

Richard, Marianna D. ^{[1
]}

Sabin, Verity ^{[1
]}

机构：

[1] UCB, Cambridge CB21 6GS, England

[2] UCB, Slough SL1 4EN, Berks, England

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2008年 / 18卷 / 11期

关键词：

IRAK; IRAK-4; JNK; kinase; kinase inhibitor; inhibitor; homology model; imidazopyridine; imidazo[1,2-a]pyridine; binding mode; JNK crystal structure; GASP; docking; hinge binder; hinge region; bidentate hydrogen bond; beta-turn; protein modelling; IRAK-4 homology model; IRAK-4 crystal structure; aminopyrimidine; immunity; anti-inflammatory; hydrogen bond; PxG motif;

D O I：

10.1016/j.bmcl.2008.04.039

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：3291 / 3295

页数：5

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