Molecular docking, microwave-assisted synthesis, characterization, and preliminary evaluation of the anti-microbial activity of new sulfonamide derivatives of the 1, 2, 4-triazole-3-thiol ring system

A new sulfonamide derivative containing a 1,2,4-Triazole-3-thiol ring was synthesized and characterized using FT-IR and 1 H-NMR. The microwave-assisted chemical synthesis of the 1,2,4-Triazole-3-thiol ring system resulted in good yield and purity. The synthetic compounds were then subjected to in vitro evaluation for antimicrobial study. All synthetic compounds show high activity against Gram-positive bacteria ( S. aureus , S. pneumonia , and B. subtilis ) and high activity against Gram-negative bacteria ( P. aeruginosa , and H. pylori ), with less activity against ( N. gonorrhoeae , and E. coli ). Also, it shows high activity against fungi ( C. albicans ). In this study, we utilized computational methods to design new derivatives that target the carbonic anhydrase enzyme of H. pylori (PDB: 4YGF). All the target compounds interact with the enzyme’s active site, resulting in a disturbance of the acid-base balance affecting the virulence and pathogenicity.