Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study-Reference-Cited by-同舟云学术

Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study

Published:2017 Issue:25 Volume:19 Page:16638-16649
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Galliot Aurellia¹²³⁴⁵,Gil Adrià¹²³⁴⁵^ORCID,Calhorda Maria José¹²³⁴⁵^ORCID

Affiliation:

1. Centro de Química e Bioquímica

2. DQB

3. Faculdade de Ciências

4. Universidade de Lisboa

5. Campo Grande 1749-016 Lisboa

Abstract

The effects of oxygen in positions 4,7 and 5,6 of phenanthroline have been studied computationally when this ligand intercalates between DNA base pairs. Our results indicate that solvation energy could be the driving force of the process and thus, it can be also related with the cytotoxicity of the drug.

Funder

Fundação para a Ciência e a Tecnologia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00532F

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