Novel Pyrazole-4-Carbaldehyde Derivatives Having Potent COX-2 Inhibition and Anti-Tubercular Activity: Microwave-Assisted Green Synthesis and Molecular Docking.

A series of 1-(4-Chorophenyl)-3Aryl-1-H-pyrazole-4-carbaldehyde derivatives were synthesized under the microwave irradiation (MW) technique. IR, 1H-NMR, 13C-NMR, and mass spectroscopic techniques were used to confirm the structure of the synthesized compounds. The newly synthesized Pyrazole aldehydes were evaluated for their in vitro anti-inflammatory and anti-tubercular activity. Among them, the compounds 4c and 4e exhibited significant reduction of LPS-induced COX-2 protein levels across all tested concentrations. Whereas compounds 4f and 4j exhibited sensitivity to tuberculosis at the lowest concentration of 6.25 µg/mL, which was comparable to that of the standard drug pyrazinamide. Molecular docking against the Crystal structure of diclofenac bound to the cyclooxygenase active site of COX-2 (PDB ID: 5KIR) also supports the experimental results. The molecular docking studies have demonstrated their better-fit potential as anti-inflammatory agents.