Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening

被引：29
|
作者：
Mok, N. Yi [3 ]
Chadwick, James [3 ]
Kellett, Katherine A. B. [1 ,2 ]
Hooper, Nigel M. [1 ,2 ]
Johnson, A. Peter [3 ]
Fishwick, Colin W. G. [3 ]
机构：
[1] Univ Leeds, Inst Mol & Cellular Biol, Leeds LS2 9JT, W Yorkshire, England
[2] Univ Leeds, Leeds Inst Genet Hlth & Therapeut, Leeds LS2 9JT, W Yorkshire, England
[3] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England
来源：
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2009年 / 19卷 / 23期
关键词：
Alzheimer's disease; beta-Secretase; BACE-1; Virtual high-throughput screening; eHiTS; BETA-SECRETASE INHIBITORS; ALZHEIMERS-DISEASE; EFFICIENCY; PROGRESS; DOCKING; EHITS;
D O I：
10.1016/j.bmcl.2009.09.103
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
A novel series of isatin-based inhibitors of beta-secretase (BACE-1) have been identified using a virtual high-throughput screening approach. Structure-activity relationship studies revealed structural features important for inhibition. Docking studies suggest these inhibitors may bind within the BACE-1 active site through H-bonding interactions involving the catalytic aspartate residues. (C) 2009 Elsevier Ltd. All rights reserved.
引用
收藏
页码：6770 / 6774
页数：5
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