Title of article
2-Aminobenzimidazoles as potent ITK antagonists: de novo design of a pyrrole system targeting additional hydrogen bonding interaction
Author/Authors
Lo، نويسنده , , Ho Yin and Bentzien، نويسنده , , Jِrg and White، نويسنده , , Andre and Man، نويسنده , , Chuk C. and Fleck، نويسنده , , Roman W. and Pullen، نويسنده , , Steven S. and Khine، نويسنده , , Hnin Hnin and King، نويسنده , , Josephine and Woska Jr.، نويسنده , , Joseph R. and Wolak، نويسنده , , John P. and Kashem، نويسنده , , Mohammed A. and Roth، نويسنده , , Gregory P. and Takahashi، نويسنده , , Hide، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2008
Pages
4
From page
7337
To page
7340
Abstract
Based on information from molecular modeling, a series of 2-aminobenzimidazoles with pyrrole moieties were designed and synthesized as ITK antagonists. Results showed that a significant improvement of intrinsic and cell-based potency was achieved. X-ray crystallographic analysis of an inhibitor complex with ITK confirmed the prediction from the de novo design that the pyrrole moiety of the inhibitor would form an additional hydrogen bonding interaction with Glu436 in the catalytic domain, and hence improve overall binding affinity of the inhibitor.
Journal title
Tetrahedron Letters
Serial Year
2008
Journal title
Tetrahedron Letters
Record number
1862045
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