COX-2 inhibitors are used to treat pain due to rheumatoid arthritis. NSAID’s is one such category which is used widely to treat pain but due to its ulcerogenic and thromboembolic effect it has been used cautiously and therefore the search for a new COX-2 inhibitor is always a necessity. The present approach of synthesizing (E)-(substituted)benzylidene-1-isonicotinoylpyrazolidine-3,5-dione (4.1-4.6) as selective COX-2 inhibitors is headed towards the same. Six compounds were synthesized and evaluated by computational methods for their stability and toxicity. The structure of the synthesized pyrazole derivatives was proved by means of IR, 1H-NMR, (EI) mass. The synthesized compounds were analyzed using docking studies, for various parameters like hydrophobicity, hydrogen bonding, sitemap interactions and toxicity. Among the synthesized compounds, 4.2 exhibited significant glide score as an analgesic using 5COX as receptor and all the compound were found to be toxic especially due to fragment T_HAR_HET_OT and to a lesser extent due to fragment T_HAR_HAT_HAT08.
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