Synthesis, Antifungal Activity, and Molecular Docking Studies of Novel Triazole Derivatives

In order to meet the urgent need for novel antifungal agents with improved activity and broader spectrum, a series of 3/4-[[N-alkyl-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1, 2, 4-triazole)] propylamino] benzylethyl carbonate were designed, synthesized and evaluated as antifungal agents. The MIC80 values indicate that all the compounds showed only moderate or even no antifungal activities against nearly all the tested fungal pathogens. Moreover, the interactions of the most active compounds in the drug binding site of CACYP51 were also explored with the help of docking studies. Keywords: Triazole, Carbonate, Synthesis, Antifungal activity, Molecular docking, H-bonding, hydroxyl group, spectroscopic analysis, benzoyl peroxide