Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay
文献类型：期刊论文
| 作者 | Xu, Weijun3; Chen, Gang2; Liew, Oi Wah2; Zuo, Zhili1,2; Jiang, Hualiang4 ; Zhu, Weiliang4
|
| 刊名 | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
 |
| 出版日期 | 2009-06-15 |
| 卷号 | 19期号:12页码:3188-3192 |
| 关键词 | beta-Secretase Virtual screening Bioassay FRET |
| ISSN号 | 0960-894X |
| DOI | 10.1016/j.bmcl.2009.04.113 |
| 文献子类 | Article |
| 英文摘要 | This Letter describes an efficient approach by integrating virtual screening with bioassay technology for finding small organic inhibitors targeting beta-secretase (BACE-1). Fifteen hits with inhibitory potencies ranging from 2.8 to 118 mu M (IC50) against beta-secretase were successfully identified. Compound 12 with IC50 of 2.8 mu M is the most potent hit against BACE-1. Docking simulation from GOLD 3.0 suggests putative binding mode of 12 in BACE-1 and potential key pharmacophore groups for further designing of non-peptide compounds as more powerful inhibitors against BACE-1. (C) 2009 Elsevier Ltd. All rights reserved. |
| WOS关键词 | FAMILIAL ALZHEIMERS-DISEASE ; AMYLOID PRECURSOR PROTEIN ; MISSENSE MUTATIONS ; DISCOVERY ; CLONING ; BACE-1 ; GENE |
| 资助项目 | Singapore Polytechnic[11-27801-45-2345] ; 863 program of China[2006AA02Z336] ; international collaboration program of China[20061334] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000266402000008 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/279210]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Zuo, Zhili |
| 作者单位 | 1.Curtin Univ Technol, Sch Biomed Sci, Perth, WA 6485, Australia; 2.Singapore Polytech, Ctr Biomed & Life Sci, Singapore 139651, Singapore; 3.Singapore Polytech, Sch Chem & Life Sci, Singapore 139651, Singapore; 4.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Weijun,Chen, Gang,Liew, Oi Wah,et al. Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2009,19(12):3188-3192. |
| APA | Xu, Weijun,Chen, Gang,Liew, Oi Wah,Zuo, Zhili,Jiang, Hualiang,&Zhu, Weiliang.(2009).Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,19(12),3188-3192. |
| MLA | Xu, Weijun,et al."Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 19.12(2009):3188-3192. |
入库方式： OAI收割
来源：上海药物研究所
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