Antifungal activities of new coumarins

Research output: Contribution to journalArticle

56 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)5713-5723
Number of pages11
JournalMolecules
Volume17
Issue number5
DOIs
Publication statusPublished - May 2012

Fingerprint

Coumarins
Orbital calculations
fungi
Molecular orbitals
Molecular Structure
Fungi
Discrete Fourier transforms
Molecular structure
molecular orbitals
molecular structure
orbitals
Atoms
Geometry
geometry
atoms

Keywords

  • 4-Aminoantipyrine
  • 4-Hydroxycoumarin
  • Antifungal
  • Benzyl bromide
  • Coumarins
  • DFT
  • Ethyl bromoacetate

ASJC Scopus subject areas

  • Organic Chemistry
  • Medicine(all)

Cite this

Antifungal activities of new coumarins. / Al-Amiery, Ahmed A.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar.

In: Molecules, Vol. 17, No. 5, 05.2012, p. 5713-5723.

Research output: Contribution to journalArticle

Al-Amiery, Ahmed A. ; Kadhum, Abdul Amir H. ; Mohamad, Abu Bakar. / Antifungal activities of new coumarins. In: Molecules. 2012 ; Vol. 17, No. 5. pp. 5713-5723.
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