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