Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
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DOI：
10.1039/c3cc44612c
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发表时间：
2013-08
影响因子：
4.9
通讯作者：
Philipp Thiel;L. Roeglin;N. Meissner;S. Hennig;O. Kohlbacher;C. Ottmann
中科院分区：
文献类型：
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作者：
Philipp Thiel;L. Roeglin;N. Meissner;S. Hennig;O. Kohlbacher;C. Ottmann
我们报告第一个非共价和专门的细胞外抑制剂14-3-3蛋白质相互作用的虚拟筛选确定。通过晶体结构分析和体外结合试验进行优化，得到能够在细胞试验中破坏14-3-3σ与氨肽酶N相互作用的化合物。
We report first non-covalent and exclusively extracellular inhibitors of 14-3-3 protein-protein interactions identified by virtual screening. Optimization by crystal structure analysis and in vitro binding assays yielded compounds capable of disrupting the interaction of 14-3-3σ with aminopeptidase N in a cellular assay.