脒基嘧啶酮 TACE 抑制剂的发现和 SAR 研究。
Discovery and SAR of hydantoin TACE inhibitors.
机构信息
Department of Medicinal Chemistry, Merck Research Laboratories, Kenilworth, NJ 07033, USA.
出版信息
Bioorg Med Chem Lett. 2010 Mar 15;20(6):1877-80. doi: 10.1016/j.bmcl.2010.01.148. Epub 2010 Feb 4.
PMID:20172725
Abstract
We disclose inhibitors of TNF-alpha converting enzyme (TACE) designed around a hydantoin zinc binding moiety. Crystal structures of inhibitors bound to TACE revealed monodentate coordination of the hydantoin to the zinc. SAR, X-ray, and modeling designs are described. To our knowledge, these are the first reported X-ray structures of TACE with a hydantoin zinc ligand.
摘要
我们公开了围绕海因环锌结合部分设计的 TNF-α 转化酶（TACE）抑制剂。与 TACE 结合的抑制剂的晶体结构显示海因环与锌呈单齿配位。描述了 SAR、X 射线和建模设计。据我们所知，这些是首次报道的含有海因环锌配体的 TACE X 射线结构。
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