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.

中文翻译：

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Au（III）有机金属对PARP-1锌指识别域的选择性靶向

使用联用质谱方法结合量子力学/分子力学（QM / MM）研究了Au（III）配合物与抗癌药物靶标PARP-1的锌指结构域的结合。进行竞争实验，其中每种金络合物都暴露于两种类型的锌指中。值得注意的是，与配位化合物Aupen相比，环金属化的Au-C ^ N配合物被认为是破坏PARP-1锌指结构域的最有选择性的候选物，形成不同的加合物。