Antifungal Evaluation and Docking Studies of Some Urea Tethered-1,2, 3-Triazoles

Abstract

1,4-Disubstituted 1,2,3-triazoles synthesized by Click Chemistry have been reported as efficient pharmacophores. Numerous biological activities like antimicrobial, anticancer, anti-inflammatory, CNS, etc. are shown by this medicinally important triazole scaffold. Hybrid molecules of this bioactive scaffold with urea moiety are supposed to show better potential than their parent units. On the basis of aforementioned, herein, we report synthesis, antifungal evaluation and the molecular docking studies of urea tethered-1,2,3-triazoles. The in vitro antifungal evaluation of these compounds was carried out by serial dilution method. Two fungal strains (Candida albicans and Aspergillus niger) were used for the phamacophoric analysis of the hybrid molecules with fluconazole as the reference drug. Some of the compounds were found to be significantly more active than the standard drug. The most active compound was docked into the active site of Lanosterol 14-alpha demethylase. Computational study of the most active compound showed a good agreement with the experimental results.