Computational study on ruthenium anticancer complexes in the presence of Reactive Oxygen Species

Christoph Bauer
2013 unpublished
The subject of this thesis is the study of the reduction-oxidation chemistry of ruthenium coordination compounds in the presence of reactive oxygen species (ROS). KP1019 and NAMI-A, two ruthenium compounds currently in clinical trials, were chosen as model systems to study chemical reactions using a Density Functional Theory (DFT) method. The objective of this thesis is to gain knowledge of the chemistry of these compounds in the presence of hydrogen peroxide and potential follow-up reactions.
more » ... hereby we want to help contributing to the elucidation of possible reaction mechanisms of KP1019 and NAMI-A type compounds with ROS. In the end, the goal is to draw conclusions concerning the possible reduction-oxidation chemistry of ruthenium anticancer coordination compounds in vivo.
doi:10.25365/thesis.30174 fatcat:ohcf2ndk5vhenp3bixwjlwcf6q