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Molecules 2012, 17(5), 5713-5723; doi:10.3390/molecules17055713
Article

Antifungal Activities of New Coumarins

1,2,* , 1 and 1
1 Chemical Engineering Faculty, University of Kabengassan Malaysia (UKM), Selangor 43000, Malaysia 2 Applied Chemistry division, Applied Science Department, University of Technology UOT), Baghdad 10066, Iraq
* Author to whom correspondence should be addressed.
Received: 31 March 2012 / Revised: 12 April 2012 / Accepted: 20 April 2012 / Published: 14 May 2012
(This article belongs to the Section Medicinal Chemistry)
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Abstract

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.
Keywords: antifungal; 4-aminoantipyrine; benzyl bromide; coumarins; DFT; ethyl bromoacetate; 4-hydroxycoumarin antifungal; 4-aminoantipyrine; benzyl bromide; coumarins; DFT; ethyl bromoacetate; 4-hydroxycoumarin
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Al-Amiery, A.A.; Kadhum, A.A.H.; Mohamad, A.B. Antifungal Activities of New Coumarins. Molecules 2012, 17, 5713-5723.

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