Structure-based virtual screening for identification of novel 11 beta-HSD1 inhibitors
文献类型：期刊论文
| 作者 | Yang, Huaiyu2,3; Shen, Yu2,3; Chen, Junhua2,3; Jiang, Qunfeng2,3; Leng, Ying2,3 ; Shen, Jianhua1,2,3
|
| 刊名 | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
 |
| 出版日期 | 2009-03 |
| 卷号 | 44期号:3页码:1167-1171 |
| 关键词 | 11 beta-HSD1 11 beta-HSD2 Inhibitor Pharmacophore Docking |
| ISSN号 | 0223-5234 |
| DOI | 10.1016/j.ejmech.2008.06.005 |
| 文献子类 | Article |
| 英文摘要 | Structure-based pharmacophore models were built by using LigandScout and used for virtual screening of the SPECS database to identify new potential 11 beta-HSD1 inhibitors. As a refinement of the results obtained from virtual 3D pharmacophore screening, the best fitting virtual hits were subjected to docking study, The resulting compounds were tested in an enzyme assay and revealed several compounds with novel scaffolds that show sub-micromolar activity and high selectivity for 11 beta-HSD1 against 11 beta-HSD2. (C) 2008 Elsevier Masson SAS. All rights reserved. |
| WOS关键词 | 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 ; SELECTIVE INHIBITORS ; METABOLIC SYNDROME ; CUSHINGS-SYNDROME ; DISCOVERY ; OBESITY |
| 资助项目 | 863 Hi-Tech Program[2006AA020602] ; National Natural Science Foundation of China[30772649] ; New Drug Discovery Research Program of the Shanghai Institute of Materia Medica, Chinese Academy of Sciences[06G604P045] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000264558600026 |
| 出版者 | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/279302]  |
| 专题 | 药理学第一研究室 中科院受体结构与功能重点实验室 新药研究国家重点实验室 药物发现与设计中心 |
| 通讯作者 | Leng, Ying |
| 作者单位 | 1.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China 2.Chinese Acad Sci, Grad Sch, Shanghai 201203, Peoples R China; 3.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res,Drug Discovery & Design Ct, Shanghai 201203, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Yang, Huaiyu,Shen, Yu,Chen, Junhua,et al. Structure-based virtual screening for identification of novel 11 beta-HSD1 inhibitors[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2009,44(3):1167-1171. |
| APA | Yang, Huaiyu,Shen, Yu,Chen, Junhua,Jiang, Qunfeng,Leng, Ying,&Shen, Jianhua.(2009).Structure-based virtual screening for identification of novel 11 beta-HSD1 inhibitors.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,44(3),1167-1171. |
| MLA | Yang, Huaiyu,et al."Structure-based virtual screening for identification of novel 11 beta-HSD1 inhibitors".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 44.3(2009):1167-1171. |
入库方式： OAI收割
来源：上海药物研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。