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
收藏
页码：1535 / 1538
页数：4
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