Metal-mediated deamination of cytosine: Experiment and DFT calculations

Judit E. Šponer; Pablo J. Sanz Miguel; Luis Rodríguez-Santiago; Andrea Erxleben; Michael Krumm; Mariona Sodupe; Jirí Šponer; Bernhard Lippert

doi:10.1002/anie.200460107

Metal-mediated deamination of cytosine: Experiment and DFT calculations

Judit E. Šponer
, Pablo J. Sanz Miguel
, Luis Rodríguez-Santiago
, Andrea Erxleben
, Michael Krumm
, Mariona Sodupe
, Jirí Šponer
, Bernhard Lippert

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

31 Citations (Scopus)

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 Pt ^II center to the N3 atom (see scheme; C = cytosine, U = uracil).

Original language	English
Pages (from-to)	5396-5399
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	43
Issue number	40
DOIs	https://doi.org/10.1002/anie.200460107
Publication status	Published - 11 Oct 2004
Externally published	Yes

Keywords

Cytosine
Deamination
Density functional calculations
Nucleobases
Platinum

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10.1002/anie.200460107

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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 Pt II center to the N3 atom (see scheme; C = cytosine, U = uracil).",

keywords = "Cytosine, Deamination, Density functional calculations, Nucleobases, Platinum",

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AU - Šponer, Judit E.

AU - Sanz Miguel, Pablo J.

AU - Rodríguez-Santiago, Luis

AU - Erxleben, Andrea

AU - Krumm, Michael

AU - Sodupe, Mariona

AU - Šponer, Jirí

AU - Lippert, Bernhard

PY - 2004/10/11

Y1 - 2004/10/11

N2 - 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 Pt II center to the N3 atom (see scheme; C = cytosine, U = uracil).

AB - 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 Pt II center to the N3 atom (see scheme; C = cytosine, U = uracil).

KW - Cytosine

KW - Deamination

KW - Density functional calculations

KW - Nucleobases

KW - Platinum

UR - https://www.scopus.com/pages/publications/7244245509

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DO - 10.1002/anie.200460107

M3 - Article

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

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ER -

Metal-mediated deamination of cytosine: Experiment and DFT calculations

Abstract

Keywords

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