J. Ganapathy, Suresh Govindhan, Aravindhan Sanmargam
Sep 30, 2014
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Abstract
AbstractPyrazole, hydroxyimino, aldehyde and isoxazole derivatives exhibit a broad spectrum of biological activities such asantimicrobial, anti-inflammatory and antitumor activities. With growing application on their synthesis and bioactivity,chemists and biologists in recent years have considerable attention on the research of these derivatives. In the view ofpotential importance of these derivatives, we have crystallized few of the derivatives and its report has been published.The present study focuses on docking studies of these derivatives against Phospholipases A 2 enzyme. This enzymes hasimplicated as potential targets for anti-inflammatory drug design. co-crystal structure (PDB ID: 1POE) of PLA 2 depositedin Protein Data Bank has been retrieved for docking analysis. Docking studies using Schrodinger’s GLIDE reveals thatthese derivatives shows better binding energy and score in the defined active site. These results may provide a guidingrole to design a lead molecule which may reduce inflamation.Key words: Pyrazole, Hydroxyimino, Aldehyde, Isoxazole, Anti-inflammation, Phospholipases A