Компьютерный дизайн производныхтранс-стильбена с выраженной противовоспалительной активностью и низким уровнем токсичности

Using models developed for predicting the anti-inflammatory activity of nonsteroidal antiinflammatory drugs (NSAIDs) and their selectivity in inhibiting isomer forms of cyclooxygenases, the structure of rosveratrol molecule has been analyzed for the presence of fragments that negatively influence the anti-inflammatory activity. Based on this analysis, five potential NSAIDS with modified rosveratrol structure are proposed, which must possess pronounced anti-inflammatory activity at a low-toxicity. These compounds are recommended for the synthesis and investigationsin vitro andin vivo.