期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 21, 期 12, 页码 3749-3754出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2011.04.064
关键词
c-Met kinase; N '-(2-Oxoindolin-3-ylidene)hydrazide; Pharmacophore-based virtual screening
资金
- National Natural Science Foundation of China [20972174, 81025017, 30725046, 91029704, 21021063]
- State Key Program of Basic Research of China [2009CB918502]
- Shanghai Committee of Science and Technology [10410703900]
- Chinese Academy of Sciences [XDA01040305]
- National Science & Technology Major Project [2009ZX09301-001]
- Guangdong ST Dept. [2010A030100006]
- Program of Shanghai Subject Chief Scientist [10XD1405100]
A series of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives were identified as moderately potent inhibitors against c-Met kinase by pharmacophore-based virtual screening and chemical synthesis methods. The structure-activity relationship (SAR) at various positions of the scaffold was investigated and its binding mode with c-Met kinase was analyzed by molecular modeling studies. In this study, two potent compounds D2 and D25, with IC50 value at 1.3 mu M and 2.2 mu M against c-Met kinase respectively, were identified. Finally, based on the clues extracted from this study, future development for the optimization of this scaffold was discussed. (C) 2011 Elsevier Ltd. All rights reserved.
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