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Published on: June 20, 2025
Molecular docking analysis of curcumin analogues with COX-2
Mario Rowan Sohilait1,2, Harno Dwi Pranowo2, Winarto Haryadi2
1Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Pattimura, Jl. Ir. M. Putuhena, Kampus Poka, Ambon 97233, Indonesia.
Abstract:
Curcumin analogues were evaluated for COX-2 inhibitory as anti-inflammatory activities. The designed analogues significantly enhance COX-2 selectivity. The three compounds could dock into the active site of COX-2 successfully. The binding energies of -8.2, - 7.6 and -7.5 kcal/mol were obtained for three analogues of curcumin respectively. Molecular docking study revealed the binding orientations of curcumin analogues in the active sites of COX-2 towards the design of potent inhibitors.
