Abstract
In the present work, four Ibuprofen drug hybrids (1-4) were designed by modifying free amino groups of 4-aminoantipyrine, sulfamethoxazole, pyrazinamide, and isoniazid. Compounds (1-4) were experimentally synthesized and characterized by FTIR, mass spectrometry, H-1 and C-13-NMR spectroscopic techniques and mass spectrometry after evaluating their druglikeness through SwissADME. Theoretical investigations were carried out to evaluate their structural patterns in comparison to experimental data. Theoretical IR and NMR were calculated using DFT-B3LYP/6-311G(d,p) method, and results were found in close approximation with experimental data. The compounds were experimentally analyzed for their biological potential as anticholinesterase, antioxidant, and antibacterial which were found to be in good agreement with theoretical study. Compound (1) was found the most significant inhibitor of AChE and BChE with percentage inhibition of 92.5 +/- 0.58 and 94.5 +/- 0.57, respectively whereas compound 2 was found to be a potent antioxidant and antibacterial agent.
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