IN SILICO ANALYSIS, MODELING, DOCKING AND PHARMACOPHORE STUDIES OF PROTEINS INVOLVED IN AUTO IMMUNE MALADIES (RHEUMATOID ARTHRITIS)

G. Prathima*, Dr. A. Ravindernath, Dr. P. Raja Rao, P. Sahithi

Cytokine networks participate with paracrine and autocrine loops maintaining cellular activation in the synovial intimal lining. In rheumatoid arthritis inflammatory changes occur throughout the connective tissues of the body. The most useful medications in relieving the pain and disability of rheumatoid arthritis with anti-inflammatory properties are aspirin and ibuprofen. The present project was focused on study of anti-rheumatoid arthritis activity of bioactive compounds.In the present study, homology modeling, mutagenesis, docking studies were carried out with some of the selected bioactive compounds.PDB latest version was used to identify the target protein, obtain sequence from protein sequence data bank and homology modeling for the target protein was done using modeler 9.14 version and MOE 2008. version. Docking studies using molecular operating environment program revealed that Ellagic acid, Curcuminoid and Methyl gallate possess anti rheumatoid arthritis activity. Further, pharmacophore mapping studies were performed using DISCOVERY STUDIO on these compounds in order to identify the pharmacophoric feature responsible for the observed activity of the compounds.