Molecular Docking and In-vitro anti-inflammatory evaluation of Novel Isochromen-1-one analogues from Etodolac

In the present work, the three synthesized isochromen-1-one, their thio and N-methylated analogues derived from the anti-inflammatory drug Etodolac are assessed for its in-vitro anti-inflammatory activity and carried out molecular docking studies. Docking study result shows that compound, 5 possess good binding affinity with the COX-1 receptor showing a docking score of-8.2 and lipophilic interaction of-2.5 which is greater when compared to standard drugs such as Etodolac, Aceclofenac and Diclofenac were used. The same compound 5 also shows comparable in-vitro anti-inflammatory activity with etodolac as standard in both the methods screened.