Open AccessAntifungal activity and theoretical study of synthesized pyrazole-imidazole hybrids
Author(s) -
Dhafer Saber Zinad,
Ahmed Mahal,
Omar A. Shareef
Publication year - 2020
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/770/1/012053
Subject(s) - pyrazole , imidazole , aspergillus niger , chemistry , antifungal , amine gas treating , benzimidazole , pyridine , medicinal chemistry , reactivity (psychology) , combinatorial chemistry , stereochemistry , organic chemistry , biology , biochemistry , microbiology and biotechnology , medicine , alternative medicine , pathology
The density functional theory (DFT) and thermodynamic analyses were applied to study the stability and chemical reactivity of the synthesized CMPIP {2-chloro-4-(4-(1-methyl-1H-pyrazole-4-yl)-1H-imidazole-5-yl) pyridine} and MPIMPPA {4-(4-(1-methyl-1H-pyrazole-4-yl)- 1H-imidazole-5-yl)-N-(4-morpholino phenyl) pyridin-2-amine}. The results concluded that the CMPIP compound is more stable than MPIMPPA. The antifungal study was confirmed that the MPIMPPA has a higher inhibition zone against Aspergillus niger (A. niger) , as compared to the standard drug used, while the CMPIP compound showed weaker activity than the positive control.