Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: Virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays
文献类型：期刊论文
| 作者 | Chen, Lili ; Chen, Shuai; Gui, Chunshan; Shen, Jianhua; Shen, Xu; Jiang, Hualiang
|
| 刊名 | JOURNAL OF BIOMOLECULAR SCREENING
 |
| 出版日期 | 2006-12 |
| 卷号 | 11期号:8页码:915-921 |
| 关键词 | SARS SARS-CoV 3CL(pro) inhibitor virtual screening SPR FRET |
| ISSN号 | 1087-0571 |
| DOI | 10.1177/1087057106293295 |
| 文献子类 | Article |
| 英文摘要 | An integrated system has been developed for discovering potent inhibitors of severe acute respiratory syndrome coronavirus 3C-like protease (SARS-CoV 3CL(pro)) by virtual screening correlating with surface plasmon resonance (SPR) and fluorescence resonance energy transfer (FRET) technologies-based assays. The authors screened 81,287 small molecular compounds against SPECS database by virtual screening; 256 compounds were subsequently selected for biological evaluation. Through SPR technology-based assay, 52 from these 256 compounds were discovered to show binding to SARS-CoV 3CL(pro). The enzymatic inhibition activities of these 52 SARS-CoV 3CL(pro) binders were further applied to FRET-based assay, and IC50 values were determined. Based on this integrated assay platform, 8 new SARS-CoV 3CL(pro) inhibitors were discovered. The fact that the obtained IC50 values for the inhibitors are in good accordance with the discovered dissociation equilibrium constants (K(D)s) assayed by SPR implied the reliability of this platform. Our current work is hoped to supply a powerful approach in the discovery of potent SARS-CoV 3CL(pro) inhibitors, and the determined inhibitors could be used as possible lead compounds for further research. |
| WOS关键词 | SARS CORONAVIRUS ; MOLECULAR DOCKING ; NUCLEOCAPSID PROTEIN ; 3C-LIKE PROTEINASE ; MAIN PROTEASE ; IDENTIFICATION ; SIMULATION ; TECHNOLOGY ; BIOASSAY ; VIRUS |
| WOS研究方向 | Biochemistry & Molecular Biology ; Biotechnology & Applied Microbiology ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000242940500002 |
| 出版者 | SAGE PUBLICATIONS INC |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/273436]  |
| 专题 | 药理学第三研究室 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 | Shen, Xu |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 2.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Lili,Chen, Shuai,Gui, Chunshan,et al. Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: Virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays[J]. JOURNAL OF BIOMOLECULAR SCREENING,2006,11(8):915-921. |
| APA | Chen, Lili,Chen, Shuai,Gui, Chunshan,Shen, Jianhua,Shen, Xu,&Jiang, Hualiang.(2006).Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: Virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays.JOURNAL OF BIOMOLECULAR SCREENING,11(8),915-921. |
| MLA | Chen, Lili,et al."Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: Virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays".JOURNAL OF BIOMOLECULAR SCREENING 11.8(2006):915-921. |
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。