The hybrid models, containing hydrolytic and electron-driven processes, in theoretical study of oxaliplatin biotransformation.

ABSTRACT: The results of theoretical simulations of reaction paths for oxaliplatin from pro-drug into its active form responsible for cytostatic effect are presented. The studies based on the quantum-chemical density functional theory approach were performed considering environmental influence resulting from the aquation or electron donation. The hybrid mechanisms: hydrolytic mixed with electron driven were found to be the energetically favourable.

SUBMITTER: Kuduk-Jaworska J 

PROVIDER: S-EPMC7519906 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature