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

Abstract

ABSTRACT A series of 1‐(4‐Chorophenyl)‐3Aryl‐1‐ H ‐pyrazole‐4‐carbaldehyde derivatives were synthesized under the microwave irradiation (MW) technique. IR, 1 H‐NMR, 13 C‐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.