Keywords
Triazoles
Antimicrobial
In silico
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Abstract
Objective: To determine the antibacterial activity of triazole and bi-triazole compounds against the pathogens Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and methicillin-resistant Staphylococcus aureus (MRSA). Methods: This targeted research was combined with in silico predictions aimed at the rational and safe screening of these compounds. For this purpose, the virtual programs Osiris, Molinspiration, and ADMETlab were used. The inhibitory potential of the compounds was evaluated by the agar dilution method and by determining the Minimum Inhibitory Concentration (MIC). Results: The results showed that none of the nine compounds exhibited promising levels of bacterial inhibition at the maximum concentration of 500 μg/mL in both tests. These results suggest the need to add other radicals to the pharmacophoric group of triazoles and bi-triazoles to achieve antibacterial action against these species. Although the triazoles and bi-triazoles tested were not effective in bacterial inhibition, the in silico predictions for physicochemical properties revealed that all compounds met Lipinski's and Veber's rules in the development of a potential oral drug. Conclusion: These in silico results indicate that both chemical classes have potential for developing a possible prototype, provided that their relevant bioactivity against other diseases can be confirmed.
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