Back to Search Start Over

Molecular docking analysis of curcumin analogues with COX-2

Authors :
Mario Rowan Sohilait
Winarto Haryadi
Harno Dwi Pranowo
Source :
Bioinformation
Publication Year :
2017
Publisher :
Biomedical Informatics, 2017.

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.

Details

ISSN :
09732063 and 09738894
Volume :
13
Database :
OpenAIRE
Journal :
Bioinformation
Accession number :
edsair.doi.dedup.....dccbf372a770f5b1221c31ca7263a047
Full Text :
https://doi.org/10.6026/97320630013356