Abstract
Docking of small molecules within the binding site of the macromolecules and estimation of the binding affinity of those compounds is a vital part of structure based drug design. The current study illustrates the binding of flavonoids against the cyclooxygenase enzyme using in-silico docking studies. For this purpose, apigenin, galangin, genistein, hesperitin, kaempferol, luteolin and quercetin were selected. In-silico docking studies were carried out using Molgro Virtual Docker (MVD) software.Docking result shows that all these flavonoids fits well in the active site of COX2 with Luteolin and Genisten with the highest docking score -102.99 Kcal/mol and - 100.96 Kcal/mol, respectively, thus, could be potent inhibitor of COX2.
