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Identification of novel lead compounds active against interleukin-17 pathway involved in rheumatoid arthritis using in silico approach

Author: 
Niels Alvaro Menezes, Deepshikha Seth and Srushti Vasuki
Subject Area: 
Life Sciences
Abstract: 

Objective: The objective of the study was to identify novel lead compounds active against Interleukin-17 pathway that could reduce the effect of Rheumatoid Arthritis. Methods: Work was done on the IL17 (PDB ID: 4HR9) protein. Protein minimization and active site prediction was carried out using CHARMm algorithm on Discovery Studio. Compounds from plant and animal sources having immunosuppressant, anti-TNF and anti-inflammatory properties as well as standard drugs active against Rheumatoid Arthritis were identified. ADMET studies were done. Protein-Ligand Docking was done using Lead IT. The best results were chosen based on their e-values. Results: Probable drugs effective against Rheumatoid Arthritis were identified from various plant and animal sources based on lowest e-value and compared with the FDA approved standard drugs. Conclusion: The use of various natural compounds as probable drugs could reduce the effects of Rheumatoid Arthritis. QSAR and molecular dynamics can be done on the best compounds chosen as probably drugs and further experimental analysis can be carried out.

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