Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors
文献类型：期刊论文
| 作者 | Xu, Weijun3; Chen, Gang4; Zhu, Weiliang1 ; Zuo, Zhili2
|
| 刊名 | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
 |
| 出版日期 | 2010-11-01 |
| 卷号 | 20期号:21页码:6203-6207 |
| 关键词 | BACE-1 Virtual screening Bioassay FRET |
| ISSN号 | 0960-894X |
| DOI | 10.1016/j.bmcl.2010.08.111 |
| 文献子类 | Article |
| 英文摘要 | A similarity search on the structural analogs of an inhibitor of BACE-1 with IC(50) 2.8 mu M, which contained a P1 benzothiazole group together with a triazine ring linked by a secondary amine group, was described in this Letter and some more potent inhibitors against BACE-1 were identified. The most potent compound 5 (IC(50) = 0.12 mu M) increases the inhibitory potency by 24 folds. Our results suggest that a pyrrolidinyl side group at the P3' and P4' of the inhibitors are favored for strong inhibition and a small aromatic group at the P4 position is also essential to the potency. (C) 2010 Elsevier Ltd. All rights reserved. |
| WOS关键词 | BETA-SECRETASE INHIBITORS ; ALZHEIMERS-DISEASE ; PROGRESS ; PROTEIN ; DISCOVERY |
| 资助项目 | Student Toteboard project[11-27801-45-2703] ; Singapore Polytechnic, Innovation program of China[2009ZX09301-001] ; NNSF of China[20721003] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000282677900010 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278732]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Zhu, Weiliang |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 2.Curtin Univ Technol, Sch Biomed Sci, Perth, WA 6845, Australia; 3.Singapore Polytech, Sch Chem & Life Sci, Singapore 139651, Singapore; 4.Singapore Polytech, Ctr Biomed & Life Sci, Singapore 139651, Singapore; |
| 推荐引用方式 GB/T 7714 | Xu, Weijun,Chen, Gang,Zhu, Weiliang,et al. Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2010,20(21):6203-6207. |
| APA | Xu, Weijun,Chen, Gang,Zhu, Weiliang,&Zuo, Zhili.(2010).Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,20(21),6203-6207. |
| MLA | Xu, Weijun,et al."Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 20.21(2010):6203-6207. |
入库方式： OAI收割
来源：上海药物研究所
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