DOKING ANALYSIS FOR POTENTIAL INHIBITORS OF CYCLOOXYGENASE
The markers of neoplasia are COX enzymes, the inhibition of which can be used in the carcinogenesis prevention and treatment. COX-1 and COX-2 are considered targets for tumor inhibition. In antitumor therapy, plant compounds that can inhibit COX-2 activity are considered. Such compounds are quercetin and 3- methylquercetin. For the comparison of the obtained results, preparations aspirin and celecoxib were taken. As a result of in silico experiments carried out the 140 Докинг анализ потенциальных ингибиторов циклооксигеназ possible interaction and inhibition of COX-1 and COX-2 by quercetin and 3- methylquercetin has been revealed for the first time. Probable biological activities and possible side effects of ligands were identified. It is noteworthy that celecoxib does not show activity on the studied cell lines, and quercetin and 3- methylquercetin are more active than aspirin