Isatin-semicarbazone linked acetamide 1,2,3-triazole hybrids: Synthesis, antimicrobial evaluation and docking simulations

N-Heterocycles stand out in medicinal chemistry as significant pharmacophores because of their wide biological potential and structural diversity. In this perspective, we have synthesized a new series of isatin-semicarbazone linked acetamide triazole hybrids via CuAAC reaction with an aim of obtaining a series with tractable SAR and antimicrobial potencies better than the existing antimicrobial agents. All derivatives were structurally charac-terized using FT-IR, 1H NMR, 13C NMR, HRMS and tested their antimicrobial efficacy against various microbial species. Among the synthesized series compound 7d exhibited highest potency against E. coli with MIC of 0.0108 mu mol/mL, while 6b displayed highest efficacy towards A. niger with MIC of 0.0072 mu mol/mL. Further, in order to find out the interactions of synthesized triazoles within the active sites of 1KZN and 5TZ1, molecular docking was performed. Results of the molecular docking were found in agreement with the in vitro antimicrobial study results.