Wenzel Margot N, Meier-Menches Samuel M, Williams Thomas L, Rämisch Eberard, Barone Giampaolo, Casini Angela
School of Chemistry, Cardiff University, Main Building, Park Place, CF10 3AT Cardiff, UK.
Chem Commun (Camb). 2018 Jan 16;54(6):611-614. doi: 10.1039/c7cc08406d.
The binding of Au(iii) complexes to the zinc finger domain of the anticancer drug target PARP-1 was studied using a hyphenated mass spectrometry approach combined with quantum mechanics/molecular mechanics (QM/MM) studies. Competition experiments were carried out, whereby each Au complex was exposed to two types of zinc fingers. Notably, the cyclometallated Au-C^N complex was identified as the most selective candidate to disrupt the PARP-1 zinc finger domain, forming distinct adducts compared to the coordination compound Auphen.
采用联用质谱方法并结合量子力学/分子力学(QM/MM)研究,对金(III)配合物与抗癌药物靶点PARP-1的锌指结构域的结合进行了研究。进行了竞争实验,使每种金配合物与两种类型的锌指结构域接触。值得注意的是,环金属化的金-C^N配合物被确定为破坏PARP-1锌指结构域的最具选择性的候选物,与配位化合物Auphen相比,形成了不同的加合物。