Synthesis, Antibacterial, and Antioxidant Activities of Thiazolyl-Pyrazoline Schiff Base Hybrids: A Combined Experimental and Computational Study

Thiazole-pyrazoline Schiff base hybrids have a broad range of pharmacological potential with an ability to control the activity numerous metabolic enzymes. In this work, greener and more efficient approach has been developed synthesize novel series thiazole-pyrazoline using ZnO nanoparticle-assisted protocol in good excellent yields (78.3–96.9%) examined their antibacterial against Gram-positive Gram-negative bacteria, as well antioxidant activity. Compound 24 (IZD = 18.67 ± 0.58) displayed better P. aeruginosa compared amoxicillin 14.33 2.52) at 250 μg/mL, whereas compounds 22 13.33 0.58 mm 17.00 1.00 mm, respectively) showed E. coli 14.67 mm) 500 μg/mL. The remaining moderate weak tested bacterial strains. 21 significant inhibition DPPH (IC50 4.63 μg/mL) ascorbic acid 3.21 μg/mL). 80.01 0.07% peroxide formation, suggesting its preventing formation lipid peroxides. results ADMET study that all synthesized obeyed Lipinski's rule five. silico pharmacokinetic demonstrated compound had superior intestinal absorption amoxicillin. molecular docking analysis revealed binding affinity −9.9 Kcal/mol for PqsA (−7.3 Kcal/mol), higher (−8.5 −7.9 Kcal/mol, DNA gyrase B (-7.1 agreement vitro coli. toxicity LD50 (mg/kg) values ranging from 800 1,000 putting them ProTox-II class 4. is promising therapeutic agent coli, found be natural agent. Moreover, green synthesis nanoparticle catalyst was very method biologically active conventional method.