基于片段的ATAD2溴结构域筛选
Fragment-based screening of the bromodomain of ATAD2.
作者信息
Harner Mary J, Chauder Brian A, Phan Jason, Fesik Stephen W
机构信息
Department of Biochemistry, Vanderbilt University School of Medicine , 2215 Garland Avenue, 607 Light Hall, Nashville, Tennessee 37232-0146, United States.
出版信息
J Med Chem. 2014 Nov 26;57(22):9687-92. doi: 10.1021/jm501035j. Epub 2014 Nov 11.
Abstract
Cellular and genetic evidence suggest that inhibition of ATAD2 could be a useful strategy to treat several types of cancer. To discover small-molecule inhibitors of the bromodomain of ATAD2, we used a fragment-based approach. Fragment hits were identified using NMR spectroscopy, and ATAD2 was crystallized with three of the hits identified in the fragment screen.
摘要
细胞和遗传学证据表明，抑制ATAD2可能是治疗多种癌症的有效策略。为了发现ATAD2溴结构域的小分子抑制剂，我们采用了基于片段的方法。通过核磁共振光谱法鉴定出片段命中物，并使ATAD2与在片段筛选中鉴定出的其中三种命中物结晶。
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