Abstract

We reported an effective synthesis, molecular docking and antimicrobial properties of novel 2-(1-allyl-1H-tetrazol-5-ylsulfanyl)-N-arylacetamides. The molecular docking studies were performed for all the synthesized compounds against lanosterol 14-α-demethylase (PDB: 1EA1), using AutoDock-tools-1.5.6 and recorded the extent of H-bonding and the binding affinities. The preselected compounds via molecular docking were further tested for in vitro antimicrobial activity against five bacterial strains (Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, Staphylococcus aureus) and two fungal strains (Candida albicans and Cryptococcus neoformans). It was observed that the compounds of this series possessed moderate antibacterial potential and high antifungal potential. Therefore studying these compounds will be a valuable starting point for further drug development and drug optimization.

Key words: 2-(1-allyl-1H-tetrazol-5-ylsulfanyl)acetamides; Antimicrobial activity; Molecular docking; Organic synthesis