Scaffold-Hopping Cascade Yields Potent Inhibitors of 5-Lipoxygenase

被引：32

作者：

Hofmann, Bettina ^{[1
]}

Franke, Lutz ^{[1
]}

Proschak, Ewgenij ^{[1
]}

Tanrikulu, Yusuf ^{[1
]}

Schneider, Petra ^{[2
]}

Steinhilber, Dieter ^{[3
]}

Schneider, Gisbert ^{[1
]}

机构：

[1] Univ Frankfurt, Inst Organ Chem & Chem Biol, ZAFES CMP, D-60323 Frankfurt, Germany

[2] Schneider Consulting GbR, D-61440 Oberursel, Germany

[3] Univ Frankfurt, Inst Pharmaceut Chem, ZAFES, D-60438 Frankfurt, Germany

来源：

CHEMMEDCHEM | 2008年 / 3卷 / 10期

关键词：

bioisosters; cheminformatics; drug discovery; inflammation; virtual screening;

D O I：

10.1002/cmdc.200800153

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

(Chemical Equation Presented) A two-step iterative approach to virtual screening can identifypotent lead scaffolds as demonstrated for 5-lipoxygenase inhibition, a validated target for the treatment of inflammation and allergic reactions. Four cycles of virtual screening using both 3D- and 2D-based methods, and substructure searching were performed, and cell-based assays were used to further refine the lead selection at each stage of the process. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1535 / 1538

页数：4

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