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

页码：6770 / 6774

页数：5

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