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We synthesized coumarin derivatives using various aromatic and heterocyclic amines, and tested the target compound for its analgesic, anti-inflammatory, antimicrobial activities. Compounds 3l, 3m and 3n showed significant anti-inflammatory, analgesic and antimicrobial activities. The synthesized compounds, then docked on COX-2 to predict the binding affinity and orientation at the active site of the receptor. It was found that the active compounds 3l, 3m and 3n intact mainly with Arg 44 amino acid, which may be involved in COX-2 inhibition. The compounds which bind with Arg 44 have significant anti-inflammatory activity. This could be due to the formation of more effective hydrogen bond with the receptor. Comparing pharmacological activity and docking results, we conclude that heterocyclic derivatives linked with nitrogen at 7-position of coumarin seem to be potentially active drug.

According to the results, it was concluded that designing compounds targeting cancer-related inflammation could be helpful in developing promising drug candidates for the treatment of cancer.

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