Molecular docking analysis of curcumin analogues with COX-2.

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.

SUBMITTER: Sohilait MR 

PROVIDER: S-EPMC5712779 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature