Author(s): Radha Mahendran, Suganya Jeyabasker, Astral Francis, Sharanya Manoharan

Email(s): mahenradha@gmail.com , hodbioinfo@velsuniv.ac.in

DOI: 10.5958/0974-360X.2017.00507.8   

Address: Radha Mahendran*, Suganya Jeyabasker, Astral Francis, Sharanya Manoharan
Department of Bioinformatics, School of Life Sciences, Vels University, Chennai-600117, Tamil Nadu, India
*Corresponding Author

Published In:   Volume - 10,      Issue - 9,     Year - 2017


ABSTRACT:
Rheumatoid arthritis (RA) is a long-term disease that leads to inflammation of the joints and surrounding tissues. It also affects other organs and considered as an autoimmune disease. The body's immune system fights off foreign substances, like viruses by producing cytokines. But in an autoimmune disease, the immune system confuses healthy tissue for foreign substances and the body attacks its own tissues. The p38 Mitogen Activated Protein Kinase (MAPK) plays an important role in the production of proinflammatory cytokines, making it an attractive target for the treatment of Rheumatoid Arthritis and various inflammatory diseases. Currently Methotrexate, Leflunomide, and anti-inflammatory drugs like Aspirin, Ibuprofen are given to patients affected with Rheumatoid Arthritis, but these drugs have serious side effects. Recently, pyridazinopyridinone and its derivatives were found to be effective in inhibiting the p38 alpha MAP kinase and thereby help in treating inflammatory diseases. Docking analysis was performed using Schrödinger’s GLIDE and potent ligands were selected from the literature. The structures of the ligands were determined and energy was minimized using OPLS force field. These energy minimized ligand structures were then subjected to High throughput virtual screening against the target protein p38-a. The ligands which showed best energy and score were selected for Induced Fit Docking (IFD). The interactions between the ligands and the protein were observed in different poses and the final docking results were observed. The ligand31 has a good docking score of -11.20 and the Glide energy -72.00 with hydrogen bonding between ASP 168 and GLU 71 in the active site region. Hence, pyridazinopyridinone derivatives were found to be potent inhibitors of the target p38 Mitogen Activated Protein.


Cite this article:
Radha Mahendran, Suganya Jeyabasker, Astral Francis, Sharanya Manoharan. Insights into the Identification of p38-alpha Mitogen activated Protein Kinase against Pyridazinopyridinone Derivatives in the Treatment of Rheumatoid Arthritis. Research J. Pharm. and Tech. 2017; 10(9): 2875-2879. doi: 10.5958/0974-360X.2017.00507.8


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RNI: CHHENG00387/33/1/2008-TC                     
DOI: 10.5958/0974-360X 

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