Antifungal Activities of New Coumarins
摘要：
Newly synthesized coumarins 4-((5-mercapto-4-phenyl-4lt;emgt;Hlt;/emgt;-1,2,4-triazol-3-yl)-methoxy)-2lt;emgt;Hlt;/emgt;-chromen-2-one and 4-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)-methoxy)-2lt;emgt;Hlt;/emgt;-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.
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DOI：
10.3390/molecules17055713
被引量：
年份：
2012
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