Antifungal Activities of New Coumarins

Abstract

Newly synthesized coumarins 4-((5-mercapto-4-phenyl-4<em>H</em>-1,2,4-triazol-3-yl)-methoxy)-2<em>H</em>-chromen-2-one and 4-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)-methoxy)-2<em>H</em>-chromen-2-one were tested against selected types of fungi and showed significant activities. DFT calculations of the synthesized coumarins were performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.

Keywords

• antifungal
• 4-aminoantipyrine
• benzyl bromide
• coumarins
• DFT
• ethyl bromoacetate
• 4-hydroxycoumarin