期刊
BIOINFORMATION
卷 13, 期 11, 页码 356-359出版社
BIOMEDICAL INFORMATICS
DOI: 10.6026/97320630013356
关键词
curcumin analogues; molecular docking; Autodock
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.
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