Design, Selection, and Evaluation of a General Kinase-Focused Library

被引：13

作者：

Decornez, Helene ^{[1
]}

Gulyas-Forro, Anna ^{[2
]}

Papp, Akos ^{[2
]}

Szabo, Miklos ^{[2
]}

Sarmay, Gabriella ^{[3
]}

Hajdu, Istvan ^{[4
]}

Cseh, Sandor ^{[4
]}

Dorman, Gyoergy ^{[2
]}

Kitchen, Douglas B. ^{[1
]}

机构：

[1] AMRI, CADD, Albany, NY 12212 USA

[2] AMRI, CADD, H-1031 Budapest, Hungary

[3] Eotvos Lorand Univ Pazmany Peter, Dept Immunol, H-1117 Budapest, Hungary

[4] TargetEx, H-2120 Dunakeszi, Hungary

来源：

CHEMMEDCHEM | 2009年 / 4卷 / 08期

关键词：

general kinase model; kinase-focused library similarity; virtual screening; PROTEIN-KINASE; ACCURATE DOCKING; GLIDE; VALIDATION; INHIBITORS; DATABASE;

D O I：

10.1002/cmdc.200900164

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

(Chemical Equation Presented) The protein kinase family is an attractive target for new therapies, and compound libraries focused toward kinases have become important starting points in screening campaigns. Herein we report an integrated procedure that combines a 2D ligand-based selection procedure with 3D structure-based virtual screening to provide a tool to select target-family-focused compound sets. We evaluated the resulting selection by testing a small set of compounds in a kinase inhibition assay. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1273 / 1278

页数：6

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