Issue 86, 2016

Alternative role of cisplatin in DNA damage – theoretical studies on the influence of excess electrons on the cisplatin–DNA complex

Abstract

Reliable DFT calculations were used to gain insights into the effects of excess electrons on the cisplatin–DNA complex in a water solution. One electron injection is enough to break the two Pt–N7 bonds, which is driven by the rare symmetrical in-plane bending vibration. The dissociated [Pt(NH3)2]+˙ group from the cisplatin–DNA complex could combine with H2O in the surroundings to form a reactive species, which can abstract the most solvent accessible H4′ of the sugar with a barrier of ca. 17.5 kcal mol−1. Upon influence of the multiple electrons addition, the H4′-abstraction reaction by the stable radical anion is feasible with a lower barrier and is exothermic. Thereby, they have high efficiency for DNA damage. The synergic effect between the metal and the ligand is highlighted due to failure of the isolated [Pt(NH3)2]+˙ and [Pt(NH3)2]˙ to abstract H4′ of sugar because the overlap between the SOMO (on Pt) and the C4′H4′ anti-bonding orbital is zero. In the present studies, an alternate role of cisplatin in DNA damage was discovered, which strongly confirmed that the cisplatin–DNA complex is more vulnerable to attack from low-energy electrons.

Graphical abstract: Alternative role of cisplatin in DNA damage – theoretical studies on the influence of excess electrons on the cisplatin–DNA complex

Supplementary files

Article information

Article type
Paper
Submitted
14 Jul 2016
Accepted
17 Aug 2016
First published
17 Aug 2016

RSC Adv., 2016,6, 83053-83059

Alternative role of cisplatin in DNA damage – theoretical studies on the influence of excess electrons on the cisplatin–DNA complex

S. Zhao and R. Zhang, RSC Adv., 2016, 6, 83053 DOI: 10.1039/C6RA17919C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements