title: Antifungal activities of new coumarins.
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.
authors.affiliation: Chemical Engineering Faculty, University of Kabengassan Malaysia-UKM, Selangor 43000, Malaysia. dr.ahmed1975@gmail.com
authors.forename: Ahmed A
authors.initials: AA
authors.lastname: Al-Amiery
authors.forename: Abdul Amir Hassan
authors.initials: AA
authors.lastname: Kadhum
authors.forename: Abu Bakar
authors.initials: AB
authors.lastname: Mohamad
mesh_terms: D000935:Antifungal Agents / Q000737:chemistry / Q000494:pharmacology*; D003374:Coumarins / Q000737:chemistry / Q000494:pharmacology*; D005658:Fungi / Q000187:drug effects*; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D000935:Antifungal Agents; D003374:Coumarins