Synthesis, characterization, molecular docking and pharmacological evaluation of isoxazole derivatives as potent anti-inflammatory agents

Background: being novel compounds. Objectives: The primary objectives were to synthesize some novel substituted isoxazole derivatives, evaluate their interaction with cyclooxygenase (COX-1/2) enzymes through computational methods, and assess their anti-inflammatory effectiveness in laboratory animals. Methods: C NMR) spectroscopy, and mass spectrometry. Anti-inflammatory activity was evaluated using the carrageenan-induced rat paw edema method. Results: -8.7, -8.5, and -8.4 indicate good binding affinity (kcal/mol) and H-bond interaction with residues such as Cys41, Ala151, and Arg120 for COX-2, which also carried out RMSD values of 2.174, 41.13, and 22.25, which are decisive for the reported anti-inflammatory activity of diverse compounds. Conclusions: ) acting as lead molecules to be studied further for pain relief with fewer adverse effects.