Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening
文献类型：期刊论文
| 作者 | Zhang, Mingming1; Zhu, Weiliang2 ; Li, Yingxia1
|
| 刊名 | EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
 |
| 出版日期 | 2013-04 |
| 卷号 | 62页码:301-310 |
| 关键词 | STAT3 signaling Small-molecule inhibitors Virtual screening Cell viability Antitumor activity |
| ISSN号 | 0223-5234 |
| DOI | 10.1016/j.ejmech.2013.01.009 |
| 文献子类 | Article |
| 英文摘要 | Inhibition of the signal transducer and activator of transcription 3 (STAT3) signaling pathway has been considered a novel therapeutic strategy to treat human cancers that harbor aberrantly-active STAT3. In this study, nearly 204,000 compounds in Specs database were screened by virtual screening, and samples of top 100 compounds identified as candidate small-molecule inhibitors of STAT3 were evaluated by STAT3-dependent luciferase reporter assay as well as other cell-based assays. A benzothiazole core scaffold containing compound, 9, was identified as an inhibitor of IL-6/STAT3 signaling with an IC50 of 3.567 mu M. It is the first time to discover benzothiazole scaffold as a potent STAT3 signaling inhibitor. We further investigated the (structure activity relationship) SAR of the benzothiazole analogues, and discovered compound 16w as a better small-molecule inhibitor. Both compounds inhibited the phosphorylation of STAT3 and had no obvious effect on upstream JAK2 kinase. (C) 2013 Elsevier Masson SAS. All rights reserved. |
| WOS关键词 | ACCURATE DOCKING ; TUMOR-CELLS ; DESIGN ; POTENT ; IDENTIFICATION ; GLIDE |
| 资助项目 | 11th Fudan University Graduates Innovation Project[00000000] ; National Natural Science Foundation of China[81072525] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000318577500032 |
| 出版者 | ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/277666]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Li, Yingxia |
| 作者单位 | 1.Fudan Univ, Sch Pharm, Shanghai 201203, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Mingming,Zhu, Weiliang,Li, Yingxia. Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2013,62:301-310. |
| APA | Zhang, Mingming,Zhu, Weiliang,&Li, Yingxia.(2013).Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,62,301-310. |
| MLA | Zhang, Mingming,et al."Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 62(2013):301-310. |
入库方式： OAI收割
来源：上海药物研究所
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