PREPARATION, CHARACTERIZATION, ANTIBACTERIAL EVALUATION, LASER ACTIVITY, MOLECULAR DOCKING, AND LIQUID CRYSTALLINITY STUDIES OF NEW TETRAZOLE DERIVATIVES

Abstract: In this study, the sublimation technique was employed to react equimolar amounts of Schiff base derivatives with sodium azide in the presence of DMSO as a solvent for 21 –22 hours. The result is a synthesis of five-membered tetrazole derivatives. Physical and spectroscopic techniques, including infrared, proton and carbon nuclear magnetic resonance, validated the compounds’ structures, and UV -Vis spectroscopy. Thin-layer chromatography (TLC) was used to monitor the reaction progress and identify the melting points and purities. Two bacterial isolates, one Gram-positive (Staphylococcus aureus) and one Gram-negative (Escherichia coli), were examined to determine how certain chemicals they produced affected their growth. Some of the produced compounds had good inhibitory action against the tested microorganism s. At a dosage of 0.1 mg/ml and an inhibition diameter of 1.7 cm, compound N 6 exhibited the maximum inhibition, surpass ing the antibiotic’s efficiency. With an inhibition diameter of 3.6 cm at a dose of 0.1 mg/ml, compound N 10 had the strongest inhibitory action against Escherichia coli bacteria, surpassing the antibiotic in all experiments. The antibiotic ciprofloxacin was employed as a control. Furthermore, the prepared compounds were exposed to neodymium nano-laser radiation. The compounds demonstrated high stability toward the radiation. Molecular modelling was performed using the AUTODOCK software package for N 6 against S. aureus and N10 against E. coli. It appears that tetrazole is linked via the NH group with amino acid residue B: GLY:114, forming hydrogen bonds with an affinity value of (-9.9 kcal/mol) and a conformational value of RMSD.i.b (4.721) and RMSD.u.b (8.679). The textures of some of the prepared compounds [N6, N8] were studied using a polarizing microscope.