ArticleInflammopharmacology2025
Design and pharmacological assessment of naproxen-ibuprofen linked NSAIDs as selective COX-2 modulators in inflammatory pathways.
Article in Inflammopharmacology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
introductionNSAIDs inhibit COX enzymes non-selectively, prolonged consumption of these medications frequently results in gastrointestinal (GI) damage. Although selective COX-2 inhibitors may reduce gastrointestinal issues, their therapeutic value is restricted by their cardiovascular hazards. Natural phenolic acids like ferulic and syringic acid possess anti-inflammatory and gastroprotective effects. This study explores hybrid molecules combining NSAIDs with phenolic acids to overcome these challenges.
objectiveTo design, synthesize, and evaluate Naproxen and Ibuprofen acid-linked NSAID derivatives as selective COX-2 inhibitors.
methodsHybrid molecules were synthesized through esterification and hydrazide coupling reactions. Structural validation was followed by in-silico molecular docking and MD simulations using Schrodinger Suite and GROMACS. In-vitro COX-1/COX-2 inhibitory activities were assessed via TMPD oxidation assay. In vivo tests included rat paw oedema caused by carrageenan (anti-inflammatory), writhing caused by acetic acid (analgesic), and gastric ulcers caused by pylorus ligation (ulcerogenic).
resultsMolecular docking showed strong binding affinity of select hybrids to COX-2 active sites, with favorable RMSD and RMSF profiles. Compounds, particularly ibuprofen-syringic and ibuprofen-ferulic acid hybrids, demonstrated Significant COX-2 selectivity, Reduced paw edema and writhing counts, and Marked decrease in ulcer index, improved pH, and reduced gastric acidity compared to control and standard NSAIDs.
conclusionNSAID-phenolic acid hybrids, especially those based on ibuprofen conjugated with syringic or ferulic acid, emerge as promising dual-action candidates combining potent anti-inflammatory and analgesic benefits with enhanced gastric safety. These findings support further development of such hybrids as next-generation COX-2 selective therapeutics.
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