Identification of Lead Compounds As Antagonists of Protein Bcl-xL with a Diversity-Oriented Multidisciplinary Approach
Identification of Lead Compounds As Antagonists of Protein Bcl-xL with a Diversity-Oriented Multidisciplinary Approach
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DOI：
10.1021/jm9010687
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发表时间：
2009-12-10
影响因子：
7.3
通讯作者：
Bifulco, Giuseppe
中科院分区：
文献类型：
--
作者：
Di Micco, Simone;Vitale, Romina;Bifulco, Giuseppe
我们报告了使用面向多样性的合成（DOS）方法，该方法产生了一组呈现新颖结构核心的化合物库。这些化学核心已被用来通过重复的分子对接计算步骤和结合实验验证来设计抗凋亡蛋白 Bcl-x(L) 的潜在拮抗剂。我们的数据表明 DOS 方法适合生成新型支架，可用于靶向蛋白质-蛋白质相互作用。
We report on the use of a diversity oriented synthesis (DOS) approach that resulted in the generation of a set of libraries of compounds presenting novel structural cores. These chemical cores have been employed to design potential antagonists of the antiapoptotic protein Bcl-x(L) through reiterated steps of molecular docking calculations followed by experimental verification of binding. Our data suggest that the DOS approach is suitable to generate novel scaffolds, which can be employed to target protein-protein interactions.