Yefidoff-Freedman Revital, Chen Ting, Sahoo Rupam, Chen Limo, Wagner Gerhard, Halperin Jose A, Aktas Bertal H, Chorev Michael
Laboratory for Translational Research, Harvard Medical School, 240 Longwood Avenue, Boston, MA 02115 (USA); Hematology Laboratory for Translational Research, Brigham and Women's Hospital, Harvard Medical School, 20 Shattuck Street, Thorn 7, Boston, MA 02115 (USA).
Chembiochem. 2014 Mar 3;15(4):595-611. doi: 10.1002/cbic.201300723. Epub 2014 Jan 23.
4EGI-1, the prototypic inhibitor of eIF4E/eIF4G interaction, was identified in a high-throughput screening of small-molecule libraries with the aid of a fluorescence polarization assay that measures inhibition of binding of an eIF4G-derived peptide to recombinant eIF4E. As such, the molecular probe 4EGI-1 has potential for the study of molecular mechanisms involved in human disorders characterized by loss of physiological restraints on translation initiation. A hit-to-lead optimization campaign was carried out to overcome the configurational instability in 4EGI-1, which stems from the E-to-Z isomerization of the hydrazone function. We identified compound 1 a, in which the labile hydrazone was incorporated into a rigid indazole scaffold, as a promising rigidified 4EGI-1 mimetic lead. In a structure-activity relationship study directed towards probing the structural latitude of this new chemotype as an inhibitor of eIF4E/eIF4G interaction and translation initiation we identified 1 d, an indazole-based 4EGI-1 mimetic, as a new and improved lead inhibitor of eIF4E/eIF4G interaction and a promising molecular probe candidate for elucidation of the role of cap-dependent translation initiation in a host of pathophysiological states.
4EGI-1是eIF4E/eIF4G相互作用的原型抑制剂,它是在小分子文库的高通量筛选中借助荧光偏振测定法鉴定出来的,该测定法用于测量eIF4G衍生肽与重组eIF4E结合的抑制情况。因此,分子探针4EGI-1有潜力用于研究以翻译起始的生理限制丧失为特征的人类疾病所涉及的分子机制。开展了一项从活性命中物到先导化合物的优化工作,以克服4EGI-1中由于腙官能团的E-Z异构化导致的构型不稳定性。我们鉴定出化合物1a,其中不稳定的腙被并入刚性吲唑支架中,作为一种有前景的刚性化4EGI-1模拟先导化合物。在一项旨在探究这种新化学类型作为eIF4E/eIF4G相互作用和翻译起始抑制剂的结构自由度的构效关系研究中,我们鉴定出1d,一种基于吲唑的4EGI-1模拟物,作为eIF4E/eIF4G相互作用的新型改良先导抑制剂,以及用于阐明帽依赖性翻译起始在一系列病理生理状态中的作用的有前景的分子探针候选物。