期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 18, 期 11, 页码 3291-3295出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2008.04.039
关键词
IRAK; IRAK-4; JNK; kinase; kinase inhibitor; IRAK-4 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
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.
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