Literature DB >> 22245861

An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine.

Lara Martínez-Fernández1, Leticia González, Inés Corral.   

Abstract

The deactivation mechanism of the cytotoxic 6-thioguanine, the 6-sulfur-substituted analogue of the canonical DNA base, is unveiled by ab initio calculations. Oxygen-by-sulfur substitution leads to efficient population of triplet states-the first step for generating singlet oxygen-which is responsible for its cytotoxicity. This journal is © The Royal Society of Chemistry 2012

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Year:  2012        PMID： 22245861     DOI： 10.1039/c2cc15775f

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  17 in total

1.  π- vs σ-radical states of one-electron-oxidized DNA/RNA bases: a density functional theory study.

Authors:  Anil Kumar; Michael D Sevilla
Journal:  J Phys Chem B       Date:  2013-09-19       Impact factor: 2.991

2.  Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate.

Authors:  Salvatore F Altavilla; Javier Segarra-Martí; Artur Nenov; Irene Conti; Ivan Rivalta; Marco Garavelli
Journal:  Front Chem       Date:  2015-04-20       Impact factor: 5.221

3.  Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture.

Authors:  Sebastian Mai; Philipp Marquetand; Leticia González
Journal:  J Phys Chem Lett       Date:  2016-05-17       Impact factor: 6.475

4.  The origin of efficient triplet state population in sulfur-substituted nucleobases.

Authors:  Sebastian Mai; Marvin Pollum; Lara Martínez-Fernández; Nicholas Dunn; Philipp Marquetand; Inés Corral; Carlos E Crespo-Hernández; Leticia González
Journal:  Nat Commun       Date:  2016-10-05       Impact factor: 14.919

5.  Observation of Enhanced Dissociative Photochemistry in the Non-Native Nucleobase 2-Thiouracil.

Authors:  Kelechi O Uleanya; Rosaria Cercola; Maria Nikolova; Edward Matthews; Natalie G K Wong; Caroline E H Dessent
Journal:  Molecules       Date:  2020-07-10       Impact factor: 4.411

6.  Excited-State Dynamics of the Thiopurine Prodrug 6-Thioguanine: Can N9-Glycosylation Affect Its Phototoxic Activity?

Authors:  Brennan Ashwood; Steffen Jockusch; Carlos E Crespo-Hernández
Journal:  Molecules       Date:  2017-02-28       Impact factor: 4.411

7.  A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil.

Authors:  Sebastian Mai; Philipp Marquetand; Leticia González
Journal:  J Phys Chem A       Date:  2015-08-28       Impact factor: 2.781

8.  Tubulin structure-based drug design for the development of novel 4β-sulfur-substituted podophyllum tubulin inhibitors with anti-tumor activity.

Authors:  Wei Zhao; Jia-Ke Bai; Hong-Mei Li; Tao Chen; Ya-Jie Tang
Journal:  Sci Rep       Date:  2015-05-11       Impact factor: 4.379

9.  Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil.

Authors:  Sebastian Mai; Abed Mohamadzade; Philipp Marquetand; Leticia González; Susanne Ullrich
Journal:  Molecules       Date:  2018-11-01       Impact factor: 4.411

10.  Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics.

Authors:  Martin Richter; Sebastian Mai; Philipp Marquetand; Leticia González
Journal:  Phys Chem Chem Phys       Date:  2014-11-28       Impact factor: 3.676
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