Green Synthesis, Molecular Docking Studies, and Antimicrobial Evaluation of Tetrazoles Derivatives

Abstract

In this work, novel antibacterial drugs that are tetrazole derivatives connected to the 1-position of the heterocyclic ring (benzimidazole) via a methyl bridge were designed and synthesized. The final chemical structures of the prepared tetrazole derivatives were confirmed by nuclear magnetic resonance (1H NMR and 13C NMR), and Fourier-transform infrared spectroscopy (FTIR) spectroscopy. Three types of Candida were used to investigate the synthetic compounds' antifungal properties: Candida albicans, Candida glabrata, and Candida parapsilosis. Compounds e1 and b1 have greater efficacy against Candida albicans than normal fluconazole, while compound d1 shows greater efficacy against Candida glabrata. The ability of compounds to combat gram-positive and gram-negative, Klebsiella pneumoniae, Staphylococcus aureus, Escherichia coli, and Enterococcus faecalis was also assessed. The lowest inhibitory concentrations of compounds e1, b1, and c1 against E. faecalis were comparable to those of the control drug azithromycin. Modeling studies were conducted against the 14-α demethylase enzyme found in Candida species. When it came to combating Candida species, e1 was the most effective chemical and had the highest docking contact energy. Based on the theoretical ADME of prepared compounds calculated, the molecule profiles meet the limitation rule requirements.