Virtual screening of a library of natural compounds against COX-2 protein
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abstract
The authors are grateful to the Foundation for Science and Technology (FCT,
Portugal) for financial support through national funds FCT/MCTES to the CIMO (UIDB/00690/2020); to
the European Regional Development Fund (ERDF) through the Competitiveness and Internationalization
Operational Program for financial support to the project 100% Figo (POCI-01-0247-FEDER-064977). S.
Heleno and M. Carocho thank FCT for their individual employment program–contract (CEECIND/
00831/2018, CEECIND/03040/2017), and L.Barros also thanks to the national funding by FCT
through the institutional scientificemployment program–contract for her contract. C. Shirashi thank the
project 100% Figos.
The use of nonsteroidal anti-inflammatory drugs
(NSAIDs) in treating inflammatory diseases has been
widespread, especially in treating rheumatoid arthritis.
NSAIDs act mainly by promoting the inhibition of
cyclooxygenase enzymes (COX-1 and COX-2), inducing
significant anti-inflammatory, analgesic, and antipyretic
activity. However, recent data show that prolonged use of
NSAIDs can lead to cardiovascular side effects. Thus, the
present work aims to identify COX-2 inhibitors
alternatives from natural sources, specifically mushrooms,
as an alternative to conventional inhibitors
