Synthesis of 1,2,3-triazole-linked silanes and exploration of their anti-bacterial potential via in-silico and in-vitro approach

The arena of search for new antimicrobial drugs holds high importance as the prolonged use of antibiotics leads to drug resistance in the bacterial strains. 1,2,3-triazoles and silanes are known to possess applications in the biological field. Owing to these factors 1,2,3-triazole appended silanes 2a-2d have been synthesized and characterized using 1H NMR, 13C NMR and mass spectrometry and their in-vitro anti-bacterial activity has been studied against the bacterial strains Escherichia coli and Staphylococcus aureus, yielding the best results with triazole 2c against S. aureus. The mode of binding between 2c and the S. aureus bacterial protein (PDB ID: 8H1B) has been studied using molecular docking. The drug-like characteristics and the bioactivity score of the synthesized compounds has been studied using the tools of Molinspiration and PreADMET.