Benzophenone and DNA: Evidences for a Double Insertion Mode and its Spectral Signature - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry Letters Année : 2013

Benzophenone and DNA: Evidences for a Double Insertion Mode and its Spectral Signature

Résumé

From explicit solvent molecular dynamics simulations, we probe the existence of two stable and competitive interaction modes between an alternating poly(dA-dT) decamer and benzophenone: a minor groove adduct and a double insertion structure in which the central base pair is ejected, with hydrogen bonding with proximal groups, locking the DNA-drug complex. The extensive analysis of non-covalent interactions provides a rationale for the existence of this mode, never reported yet between DNA and any organic photosensitizer. We evidence a highly characteristic signature in our simulated circular dichroism spectra that may provide useful guidance for the future experimental efforts, as well as for theoretical investigations aiming at elucidating the energy transfer mechanism between benzophenone and thymines
Fichier non déposé

Dates et versions

hal-00907412 , version 1 (21-11-2013)

Identifiants

Citer

E. Dumont, A. Monari. Benzophenone and DNA: Evidences for a Double Insertion Mode and its Spectral Signature. Journal of Physical Chemistry Letters, 2013, 4 (23), pp.4119-4124. ⟨10.1021/jz4021475⟩. ⟨hal-00907412⟩
38 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More