Investigation of chalcone cyclized pyrazole derivatives as an anti-inflammatory agent: In-vivo and in-silico molecular docking approach

Abstract

A novel pyrazole condensed with chalcone and pyrazoline derivatives have been synthesized and evaluated against anti-inflammatory activity using a standard method of acute carrageenan-induced rat paw edema in vivo. NJD1 would be the most potent compound (30.10 ± 0.02%) found to be inhibitory in rats and exhibiting activity similar to celecoxib as a reference standard. Molecular docking studies have been conducted on PDB: 1TD7, the 3D X-ray crystallographic structure of group I protein phospholipase A2 (PLA2), -5.609 kcal/mol is the binding affinity of the standard celecoxib. The synthesized derivatives NJD1 and NJD2 (-6.283, -6.057 kcal/mol) has exhibited greater binding affinity, respectively.