Infectious and Inflammatory Disease Center, Burnham Institute for Medical Research, La Jolla, California 92037, USA.
J Med Chem. 2010 May 27;53(10):3899-906. doi: 10.1021/jm901446n.
The 14 kDa homodimeric N1L protein is a potent vaccinia and variola (smallpox) virulence factor. It is not essential for viral replication, but it causes a strong attenuation of viral production in culture when deleted. The N1L protein is predicted to contain the BH3-like binding domain characteristic of Bcl-2 family proteins, and it is able to bind the BH3 peptides. Its overexpression has been reported to prevent infected cells from committing apoptosis. Therefore, interfering with the N1L apoptotic blockade may be a legitimate therapeutic strategy affecting the viral growth. By using in silico ligand docking and an array of in vitro assays, we have identified submicromolar (600 nM) N1L antagonists belonging to the family of polyphenols. Their affinity is comparable to that of the BH3 peptides (70-1000 nM). We have also identified the natural polyphenol resveratrol as a moderate N1L inhibitor. Finally, we show that our ligands efficiently inhibit growth of vaccinia virus.
14kDa 同源二聚体 N1L 蛋白是一种强效的牛痘病毒和天花(天花)毒力因子。它对病毒复制不是必需的,但当被删除时,它会导致病毒产量在培养中强烈减弱。N1L 蛋白被预测含有 Bcl-2 家族蛋白特征的 BH3 样结合域,并且能够结合 BH3 肽。据报道,其过表达可防止受感染的细胞发生细胞凋亡。因此,干扰 N1L 凋亡阻断可能是影响病毒生长的合理治疗策略。通过使用计算机对接配体和一系列体外测定法,我们已经鉴定出属于多酚类的亚毫摩尔(600nM)N1L 拮抗剂。它们的亲和力与 BH3 肽相当(70-1000nM)。我们还鉴定出天然多酚白藜芦醇是一种中度 N1L 抑制剂。最后,我们表明我们的配体有效地抑制了牛痘病毒的生长。