Rheumatoid Arthritis (RA) is an autoimmune disease affecting life globally. It is characterized by synovial inflammation and joint destruction, eventually inducing severe disability and joint deformity. Many of the research have been done towards the treatment of RA. Since it is inflammatory disease, verities of inflammatory cytokines are involved in RA. IL-6 and TNF-α are most prominently causing RA. In this study we are looking for an inhibitory compound of natural origin which can be used to target the above two inflammatory factors. Two plants namely Aloevera and Murraya koenigii were selected to find out the activity of their active compounds to inhibit the target interleukin 6 (IL-6). The protein-ligand docking plays an important role in structural based drug designing. Various molecular docking tools namely SwissDock, PatchDock, Argus Lab 4.0.1, UCSF Chimera-Autodock Vina and Hex 8.0 were used to find the best scoring function of protein ligand interaction. Molecular docking followed by ADME/Tox to limit the study of molecular docking was used on the basis of Lipinski rule of five. The results of these tools showed that out of 10 active components of both the plants only two have potential to be an inhibitor of the IL-6. The aloe emodin of Aloevera and phebalosin of Murraya koenigii have spontaneous binding with IL-6 protein. These active compounds have potential which can be used as drug to treat the inflammatory condition of RA.
Keywords : Autoimmune Disease, Molecular Docking, TNF -α, SwissADME, Lipinski Rule