Electrochemical and in silico approaches for liver metabolic oxidation of antitumor-active triazoloacridinone C-1305.

ABSTRACT: 5-Dimethylaminopropylamino-8-hydroxytriazoloacridinone (C-1305) is a promising antitumor compound developed in our laboratory. A better understanding of its metabolic transformations is still needed to explain the multidirectional mechanism of pharmacological action of triazoloacridinone derivatives at all. Thus, the aim of the current work was to predict oxidative pathways of C-1305 that would reflect its phase I metabolism. The multi-tool analysis of C-1305 metabolism included electrochemical conversion and in silico sites of metabolism predictions in relation to liver microsomal model. In the framework of the first approach, an electrochemical cell was coupled on-line to an electrospray ionization mass spectrometer. The effluent of the electrochemical cell was also injected onto

SUBMITTER: Potega A 

PROVIDER: S-EPMC7474135 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature