IDENTIFICATION OF ANTIRHEUMATOID ARTHRITIS LIGANDS USING IN SILICO ANALYSIS

Objective: The purpose of the research was to implement molecular docking simulation investigate anti-inflammatory capability against thioesterase-2, an essential component inflammatory reaction in humans. Methods: After obtaining three-dimensional structures arthritis ligand and thioesterase-2 protein from IUPHAR/BPS Guide PHARMACOLOGY, PUBCHEM, RCSB PDB databases server, ligands with suitable absorption, distribution, metabolism, excretion (ADME) properties were docked using PyRx 0.8 AutoDock tools 1.5.7. Results: Indomethacin showed better binding affinity thioesterase-2. Conclusion: In light its promising affinities indomethacin could be taken into consideration as a prospective pharmacological agent for inhibition, according SWISS ADME evaluation.