MOLECULAR MODELING OF SINGLET-OXYGEN BINDING TO ANTHRAQUINONES IN RELATION TO THE PEROXIDATING ACTIVITY OF ANTITUMOR ANTHRAQUINONE DRUGS

Anthraquinone derivatives are important anti-cancer drugs possessing, however, undesirable peroxidating and, in consequence, cardiotoxic pro perties. This results from the mediation by these compounds of the one -electron reduction processes of the oxygen molecule, which produces t he highly toxic superoxide anion radical and other active oxygen speci es. This article summarizes the results of our studies on the molecula r aspects of the mechanism of anthraquinone-mediated peroxidation whic h were carried out using enzymatic-assay, electrochemical, and quantum -mechanical methods.