Metal-Mediated Deamination of Cytosine: Experiment and DFT Calculations†
This work was supported through grants from MCYT and FEDER (project BQU 2202-04112-C02-01), DURSI (project 2001 SGR-00182), the CESCA-CEPBA mobility program (LN00A016, MSMT ČR), the Volkswagen Stiftung (grant I/74657), the Deutsche Forschungsgemeinschaft, and the Fonds der Chemischen Industrie. The use of the computational facilities of the Catalonia Supercomputer Center (CESCA) for J.E.Š., J.Š., M.S., and L.R.S. as well as a Wellcome Trust International Senior Research Fellowship in Biomedical Science in Central Europa to J.Š. are gratefully acknowledged.
Graphical Abstract
A mechanism goes platinum: Hydrolytic deamination of cytosine is a major mutagenic event in DNA. Studies with a model system and DFT calculcations demonstrate that deamination is facilitated by coordination of the PtII center to the N3 atom (see scheme; C=cytosine, U=uracil).
