DOCKING STUDY AND DESIGNING OF ANTIASTHMATIC DRUG USING sPLA2 AS A THERAPEUTIC TARGET PROTEIN

Abstract

Asthma is a complex disease of the respiratory tract characterized by allergen-induced breathlessness that is, orchestrated by the interaction of immune, inflammatory, and resident lung cells which is controlled by number of target proteins. In this work sPLA2 is selected as potential target as it is expressed at the highest levels in airways of asthmatics. Attempt has been made to design a drug against this target protein. The homology modeling of sPLA2 protein, ligand designing and drug validation studies done by using bioinformatics tools and softwares. The result indicates that the designed ligand molecule 2(R) – 2 hydroxyl – 3 [(3-vinylbenzyl) oxy] propanamide possess non mutagenic, non tumerogenic, non irritant properties and could be a promising drug target for the disease asthma showing valid drug likeness score and negative gibbs free energy.