Design, synthesis, biological activities and DFT calculation of novel 1,2,4-triazole Schiff base derivatives.
Bioorg Chem
; 80: 253-260, 2018 10.
Article
em En
| MEDLINE
| ID: mdl-29966871
Series of 1,2,4-triazole Schiff bases (2a-2d, 2f-2h and 3a-3h) have been designed and synthesized. The structure of title compounds was confirmed on the basis of their spectral data and elemental analysis. All the target compounds were screened for their in vitro antifungal activity and antibacterial activity. Two of the tested compounds (2a and 2b) exhibited significant antifungal activity against most fungi, especially compound 2a showed better antifungal activity than triadimefon. Meanwhile, the antibacterial activity assay also indicated compound 2a exhibited excellent antibacterial activities comparable to chloramphenicol. The SAR manifested no substitution at position 5 of the triazole ring caused an increase in activity, and 3-phenoxy phenyl group introduced in 1,2,4-triazole scaffold can enhance the antibacterial activity. The DFT calculation indicated triazole ring, S atom and benzene ring in both of the 2a and 3a make a major contribution to the activity.
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Base de dados:
MEDLINE
Assunto principal:
Bases de Schiff
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Triazóis
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Desenho de Fármacos
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Antibacterianos
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Antifúngicos
Idioma:
En
Revista:
Bioorg Chem
Ano de publicação:
2018
Tipo de documento:
Article
País de afiliação:
China