Computer prediction and verification of antioxidative activity of exo-functionalized derivatives of 9,10-antraquinone.
A computer-aided prediction of the pharmacological activity of a number of exo-functionalized derivatives of 9,10-anthraquinone with amino acid and thiazole fragments for the search of compounds with antioxidant effect using the program PASS of the web resource Way2Drug was carried out. The obtained results were analyzed for the probability of the mechanism of antioxidant action as a radical scavenger, antihypoxic, oxygen scavenger, radical formation agonist and catalase stimulator.