期刊
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
卷 45, 期 11, 页码 5420-5427出版社
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2010.09.002
关键词
VEGFR-2; Virtual screening; Docking; Anticancer activity; Kinase inhibitor
资金
- Ministry of Education, Science and Technology [2009-0076064, 2009-0093824]
- MOE
- National Research Foundation of Korea [2009-0093824, 2009-0076064] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
Virtual screening was performed to determine potent vascular endothelial growth factor receptor (VEGFR)-2 kinase inhibitors. A database of approximately 820,000 commercial compounds was used for screening, and 100 compounds were chosen as candidate VEGFR-2 inhibitors through pharmacophore modeling and docking studies. These 100 compounds were purchased to test their biological activities: 10 compounds were found to inhibit the enzyme, with IC50 values ranging from 10 to 1 mu M. Compound 1, which has a triazinoindole ring, inhibited the enzymatic activity of VEGFR-2, with an IC50 value of about 1.6 mu M, making it the most potent inhibitor of this enzyme. The triazinoindole derivative may therefore serve as the starting point in the design of new VEGFR-2 kinase inhibitors. (C) 2010 Elsevier Masson SAS. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据