QSAR MODEL FOR IDENTIFY NEW ACTIVE MOLECULE AGAINST HUMAN PHASPHOLIPASE A2 ENZYME

Abstract

The present research work deals with identification of biologically active molecule against human phaspholipase A2 enzyme with the help of QSAR model. Phospholipase A2 is an enzyme which hydrolyzes the sn-2 position of certain cellular phospholipids. The liberated lysophospholipid and arachidonic acid are precursors in the biosynthesis of various biologically active products. As human pancreatic PLA2 is present high level in the blood of patients are the responsible for several pathological conditions like septic shock, pancreatities, trauma, bronchial asthma, gout and other diseases. The potent PLA2 inhibitors have been suggested to be useful drugs. This QSAR model created based on the 23 physicochemical parameters of 79 indene and indole molecules. The genetic function approximation (GFA) method performs a search over the space of possible QSAR models using lack of fit (LOF) scores to estimate the fitness of each model. These models lead to the discovery of predictive QSAR equations. The correlation coefficient value of this equation was found to be 0.968. With this equation we can easily find the novel biologically active compound against several pathological conditions.