Abstract

A novel series of 1,2,4-triazole clubbed (E)-5-(4-(1H-1,2,4-triazol-1-yl)phenyl)-1-(2- hydroxyphenyl)pent-4-ene-1,3-dione (4a-h) and 2-(4-(1H-1,2,4-triazol-1-yl)styryl)-4H-chromen-4- one (5a-h) derivatives have been synthesized by ultrasound and conventional synthetic approach. All the synthesized compounds were screened for antibacterial and antifungal activities. From the series compound 4e and 5a show excellent activity against all tested strain. Compound 5a and 5c shows excellent activity against C. albicans. Molecular docking studies were used to rationalize binding interaction at the active site of fungal enzyme P450 cytochrome lanosterol 14 α-demethylase and results showed good binding interaction. ADMET predictions were performed and it was observed that compounds have good pharmacokinetics and drug like properties.

Keywords: 2-Styrylchromone, 1, 2, 4-Triazole, antibacterial activity, antifungal activity, molecular docking, ADMET properties.

Graphical Abstract