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

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

28 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
Journal	Angewandte Chemie - International Edition
Volume	43
Issue number	40
DOIs	https://doi.org/10.1002/anie.200460107
Publication status	Published - 11 Oct 2004

Keywords

Cytosine
Deamination
Density functional calculations
Nucleobases
Platinum

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title = "Metal-mediated deamination of cytosine: Experiment and DFT calculations",

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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Metal-mediated deamination of cytosine: Experiment and DFT calculations. / Šponer, Judit E.; Sanz Miguel, Pablo J.; Rodríguez-Santiago, Luis; Erxleben, Andrea; Krumm, Michael; Sodupe, Mariona; Šponer, Jirí; Lippert, Bernhard.

In: Angewandte Chemie - International Edition, Vol. 43, No. 40, 11.10.2004, p. 5396-5399.

Research output: Contribution to journal › Article › Research › peer-review

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T1 - Metal-mediated deamination of cytosine: Experiment and DFT calculations

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AU - Sanz Miguel, Pablo J.

AU - Rodríguez-Santiago, Luis

AU - Erxleben, Andrea

AU - Krumm, Michael

AU - Sodupe, Mariona

AU - Šponer, Jirí

AU - Lippert, Bernhard

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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

U2 - 10.1002/anie.200460107

DO - 10.1002/anie.200460107

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

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