Discovery of potent small molecule inhibitors of DYRK1A by structure-based virtual screening and bioassay
文献类型：期刊论文
| 作者 | Wang, Di2; Wang, Fei1; Tan, Yexiong2; Dong, Liwei2; Chen, Lei2; Zhu, Weiliang1 ; Wang, Hongyang2
|
| 刊名 | BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
 |
| 出版日期 | 2012 |
| 卷号 | 22期号:1页码:168-171 |
| 关键词 | DYRK1A Down syndrome Virtual screening Bioassay |
| ISSN号 | 0960-894X |
| DOI | 10.1016/j.bmcl.2011.11.043 |
| 文献子类 | Article |
| 英文摘要 | In this study, six novel dual-specificity tyrosine phosphorylation regulated kinase 1A (DYRK1A) inhibitors with IC50 values ranging from 1.51 to 88.13 mu M were successfully identified through virtual screening and in vitro plus cell based bioassay. Compound 5 with IC50 value of 1.51 mu M is the most potent hit against DYRK1A in vitro, while compound 3 exhibited the most potent activity in cultured cells. The inhibition mechanism was explored by molecular docking approach. This study may provide a start point for further mechanism based study as well as discovery of drug candidate against Down syndrome (DS). (C) 2011 Elsevier Ltd. All rights reserved. |
| WOS关键词 | PROTEIN-KINASE INHIBITORS ; DOWN-SYNDROME ; PHOSPHORYLATION SITE ; MINIBRAIN ; OVEREXPRESSION ; CHROMOSOME-21 ; SUBSTRATE ; DEFICITS ; UPDATE ; REGION |
| 资助项目 | State Key Science & Technology Project for Infectious Diseases[2012ZX10002-009] ; general foundation[90713032] ; National Natural Science Foundation of China[30921006] ; National Natural Science Foundation of China[20721003] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000298636700027 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278278]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Zhu, Weiliang |
| 作者单位 | 1.Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China; 2.Second Mil Med Univ, Int Cooperat Lab Signal Transduct, Eastern Hepatobiliary Surg Inst, Shanghai, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Di,Wang, Fei,Tan, Yexiong,et al. Discovery of potent small molecule inhibitors of DYRK1A by structure-based virtual screening and bioassay[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2012,22(1):168-171. |
| APA | Wang, Di.,Wang, Fei.,Tan, Yexiong.,Dong, Liwei.,Chen, Lei.,...&Wang, Hongyang.(2012).Discovery of potent small molecule inhibitors of DYRK1A by structure-based virtual screening and bioassay.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,22(1),168-171. |
| MLA | Wang, Di,et al."Discovery of potent small molecule inhibitors of DYRK1A by structure-based virtual screening and bioassay".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 22.1(2012):168-171. |
入库方式： OAI收割
来源：上海药物研究所
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