Identification of a sub-micromolar, non-peptide inhibitor of beta-secretase with low neural cytotoxicity through in silico screening
文献类型：期刊论文
| 作者 | Xu, Weijun1; Chen, Gang2; Zhu, Weiliang4 ; Zuo, Zhili3
|
| 刊名 | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
 |
| 出版日期 | 2010-10-01 |
| 卷号 | 20期号:19页码:5763-5766 |
| 关键词 | BACE-1 Virtual screening Bioassay FRET |
| ISSN号 | 0960-894X |
| DOI | 10.1016/j.bmcl.2010.07.140 |
| 文献子类 | Article |
| 英文摘要 | Nowadays identification of novel non-peptide beta-secretase (BACE-1, hereinafter) inhibitors with low cytotoxicity and good blood-brain barrier (BBB) property holds common interest of drug discovery for Alzheimer's disease. Twenty SPECS compounds were tested in BACE-1 FRET assays and methylthiazoletetrazolium (MTT) cytotoxicity experiment. Two compounds: 2 and 15 demonstrated IC(50) values of 0.53 and 9.4 mu M. In addition, 2 showed least toxic effect to the neuroblastoma cells. The results from both in silico and in vitro studies provided new pharmacophoric entities for chemical synthesis and optimization on the current discovered BACE-1 small molecule inhibitors. (C) 2010 Elsevier Ltd. All rights reserved. |
| WOS关键词 | STRUCTURE-BASED DESIGN ; AMYLOID PRECURSOR PROTEIN ; ALZHEIMERS-DISEASE ; BACE-1 ; DISCOVERY ; PROGRESS ; POTENT |
| 资助项目 | Student Toteboard project funding[11-27801-45-2703] ; Singapore Polytechnic[00000000] ; 863 program of China[2006AA02Z336] ; International collaboration program of China[2007DFB30370] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000281735600035 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278757]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Zhu, Weiliang |
| 作者单位 | 1.Singapore Polytech, Sch Chem & Life Sci, Singapore 139651, Singapore; 2.Singapore Polytech, Ctr Biomed & Life Sci, Singapore 139651, Singapore; 3.Curtin Univ, Sch Biomed Sci, Perth, WA 6485, Australia 4.Chinese Acad Sci, Drug Discovery & Design Ctr, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Xu, Weijun,Chen, Gang,Zhu, Weiliang,et al. Identification of a sub-micromolar, non-peptide inhibitor of beta-secretase with low neural cytotoxicity through in silico screening[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2010,20(19):5763-5766. |
| APA | Xu, Weijun,Chen, Gang,Zhu, Weiliang,&Zuo, Zhili.(2010).Identification of a sub-micromolar, non-peptide inhibitor of beta-secretase with low neural cytotoxicity through in silico screening.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,20(19),5763-5766. |
| MLA | Xu, Weijun,et al."Identification of a sub-micromolar, non-peptide inhibitor of beta-secretase with low neural cytotoxicity through in silico screening".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 20.19(2010):5763-5766. |
入库方式： OAI收割
来源：上海药物研究所
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