1392012-54-2Relevant academic research and scientific papers
Antifungal activities of new coumarins
Al-Amiery, Ahmed A.,Kadhum, Abdul Amir Hassan,Mohamad, Abu Bakar
, p. 5713 - 5723 (2012/07/16)
Newly synthesized coumarins 4-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)- methoxy)-2H-chromen-2-one and 4-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)- methoxy)- 2H-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.
