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.
Wenzel, M.N., Meier-Menches, S.M., Williams, T.L., Rämisch, E., Barone, G., Casini, A. (2018). Selective targeting of PARP-1 zinc finger recognition domains with Au(III) organometallics. CHEMICAL COMMUNICATIONS, 54(6), 611-614 [10.1039/c7cc08406d].
Selective targeting of PARP-1 zinc finger recognition domains with Au(III) organometallics
Barone, GiampaoloMembro del Collaboration Group
;
2018-01-18
Abstract
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.
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