Identification of small molecular inhibitors for Ero1p by structure-based virtual screening
文献类型：期刊论文
| 作者 | Chu, Yanyan1; Chen, Xianjun1,2; Yang, Yi1,2; Tang, Yun1,3 |
| 刊名 | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
 |
| 出版日期 | 2011-02-15 |
| 卷号 | 21期号:4页码:1118-1121 |
| 关键词 | Virtual screening Ero1p Disulfide bond Protein disorder Oxidoreductase |
| ISSN号 | 0960-894X |
| DOI | 10.1016/j.bmcl.2010.12.129 |
| 文献子类 | Article |
| 英文摘要 | Ero1p, using molecular oxygen as its preferred terminal electron acceptor, promotes disulfide bond formation by interaction with protein disulfide isomerase. Dysfunction of Ero1p leads to strong activation of the unfolded protein response and marked loss of cell viability. However, modest attenuation of Ero1p improves the fitness of yeast challenged with high levels of protein misfolding in their endoplasmic reticulum stress. Partial inhibition of Ero1p is hence of great significance. In the present paper, a docking-based virtual screening method was performed to identify inhibitors of Ero1p and 12 hits were successfully obtained from 81 purchased compounds with micromolar inhibition against Ero1p. Particularly, six of the hits demonstrated remarkable potency with IC50 < 30 mu M and held the prospect of becoming lead compounds. Then the interaction modes were analyzed for further lead optimization. (c) 2010 Elsevier Ltd. All rights reserved. |
| WOS关键词 | PROTEIN-DISULFIDE-ISOMERASE ; ENDOPLASMIC-RETICULUM ; BOND FORMATION ; OXIDATION ; PATHWAY ; HOMEOSTASIS ; DEATH ; CELL |
| 资助项目 | Program for New Century Excellent Talents in University[NCET-08-0774] ; 111 Project[B07023] ; National S&T Major Project of China[2009ZX09501-001] ; Fok Ying Tung Education Foundation[111022] ; NSFC[90713026] ; State Key Laboratory of Drug Research[00000000] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000286972400008 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278601]  |
| 专题 | 新药研究国家重点实验室 中科院受体结构与功能重点实验室 |
| 通讯作者 | Yang, Yi |
| 作者单位 | 1.E China Univ Sci & Technol, Dept Pharmaceut Sci, Sch Pharm, Shanghai 200237, Peoples R China; 2.E China Univ Sci & Technol, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China; 3.Chinese Acad Sci, State Key Lab Drug Res, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chu, Yanyan,Chen, Xianjun,Yang, Yi,et al. Identification of small molecular inhibitors for Ero1p by structure-based virtual screening[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2011,21(4):1118-1121. |
| APA | Chu, Yanyan,Chen, Xianjun,Yang, Yi,&Tang, Yun.(2011).Identification of small molecular inhibitors for Ero1p by structure-based virtual screening.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,21(4),1118-1121. |
| MLA | Chu, Yanyan,et al."Identification of small molecular inhibitors for Ero1p by structure-based virtual screening".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 21.4(2011):1118-1121. |
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。