Issue 21, 2006
From the journal:

Organic & Biomolecular Chemistry

Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: a theoretical approach

Bertrand Xerri,a   Christophe Morell,a   André Grand,a   Jean Cadet,a   Paola Cimino†b  and  Vincenzo Barone*b  

* Corresponding authors

a Laboratoire Lésions des Acides Nucléiques, SCIB-UMR no. 3 (CEA/UJF) Département de Recherche Fondamentale sur la Matière Condensée, CEA/Grenoble, 17 Avenue des Martyrs, Grenoble cedex 9, France

b Dipartimento di Chimica, Università di Napoli Federico II, Complesso Universitario Monte S. Angelo, Via Cintia, Napoli, Italy
E-mail: baronev@unina.it

Abstract

The role of local geometric and stereo-electronic effects in tuning the radiation-induced formation of intrastrand crosslinks between adenine and thymine has been analyzed by a computational approach rooted in density functional theory. Our study points out that together with steric accessibility, stereo-electronic effects play a major role in determining the reaction mechanism and the observed predominance of the thymine–adenine lesion over the opposite sequence isomer.

Graphical abstract: Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: a theoretical approach

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Article information

DOI
https://doi.org/10.1039/B609134B
Article type
Paper
Submitted
28 Jun 2006
Accepted
07 Sep 2006
First published
29 Sep 2006

Org. Biomol. Chem., 2006,4, 3986-3992

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Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: a theoretical approach

B. Xerri, C. Morell, A. Grand, J. Cadet, P. Cimino and V. Barone, Org. Biomol. Chem., 2006, 4, 3986 DOI: 10.1039/B609134B

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