Synthesis, Antimicrobial Activity, Molecular Docking and DFT Study: Aryl‐Carbamic Acid 1‐Benzyl‐1 <i>H</i> ‐[1,2,3]Triazol‐4‐ylmethyl Esters
Naveen Naveen, Ram Kumar Tittal, Ghule D. Vikas, Poonam Rani, Kashmiri Lal, Ashwani Kumar
Abstract
Abstract Bioactive carbamate‐1,4‐disubstituted 1,2,3‐triazole hybrid molecules were synthesized and characterized in high yield from carbamate‐linked terminal alkynes and in situ generated azides using Cell‐CuI‐NPs as heterogeneous catalysts via CuAAC reaction. The synthesized compound 8 demonstrated better antibacterial activity with MIC: 0.0077 μmol mL −1 for each bacterial strain E. coli , S. epidermidis and B. subtilis as compared to reference drug Norfloxacin (MIC: 0.0098 μmol mL −1 ). Also, the antifungal activity of compound 8 with MIC: 0.0077 μmol mL −1 for fungal strain C. albicans was found superior among all synthesized compounds and even better than reference drug Fluconazole with MIC: 0.0102 μmol mL −1 . The biological activity results were supported by molecular docking as well as DFT study.