Article ID Journal Published Year Pages File Type
1362565 Bioorganic & Medicinal Chemistry Letters 2010 4 Pages PDF
Abstract

A series of new benzopyrone compounds were designed and synthesized and their antifungal activities in vitro were evaluated. The results showed that the benzopyrone derivatives with short terminal alkyl chain exhibited potent antifungal activity, which represent a novel class of promising leads for the development of novel non-azole antifungal agents. Compound 5j is the most potent one with MIC80 value 1.5 μg/mL against Trichophyton rubrum. Flexible molecular docking was used to analyze the structure–activity relationships (SARs) of the compounds. The designed compounds interact with CA-CYP51 through hydrophobic and van der Waals interactions.

Graphical abstractA series of benzopyrones, NOE-azole antifungal agent, was synthesized and evaluated the antifungal activity in vitro, most of which showed moderate activity. Compound 5j (MIC80 1.5 μg/mL against Trichophyton rubrum) was the most potent one.Figure optionsDownload full-size imageDownload as PowerPoint slide

Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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