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Synthesis, in vitro antifungal activity and in silico study of 3-(1,2,4-triazol-1-yl)flavanones.

Abstract：

:A series of novel 3-(1,2,4-triazol-1-yl)flavanones were synthesized based on the N-phenethylazole pharmacophore of azole antifungals. The results of antifungal assay revealed that 4'-fluoroflavanone derivative 4c exhibited the best profile of activity against Candida and Saccharomyces strains. Compound 4c was 4-16 times more potent than reference drug fluconazole against Candida albicans and Saccharomyces cerevisiae. The molecular docking study with lanosterol 14α-demethylase, in silico toxicity risks and drug-likeness predictions were used to better define of title compounds as antifungal agents. The favorable drug-like property of compound 4c makes 3-(1,2,4-triazol-1-yl)flavanone prototype as a promising lead for the future development of azole antifungal agents.

journal_name

Eur J Med Chem

journal_title

European journal of medicinal chemistry

authors

Emami S,Shojapour S,Faramarzi MA,Samadi N,Irannejad H

doi

10.1016/j.ejmech.2013.06.008

subject

Has Abstract

pub_date

2013-08-01 00:00:00

pages

480-8

eissn

0223-5234

issn

1768-3254

pii

S0223-5234(13)00376-0

journal_volume

66

pub_type

杂志文章

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