Abstract
AbstractIn search of novel antifungal agents from natural renewable biomass resources, twenty‐two (E)‐longifolene‐derived tetralone oxime ether compounds were synthesized. Their structures were confirmed by IR, 1H‐NMR, 13C‐NMR, ESI‐MS and elemental analysis. The preliminary evaluation of in vitro antifungal activity showed that, at the concentration of 50 μg/mL, eight target compounds exhibited better antifungal activity than that of the positive control commercial fungicide chlorothalonil against Gibberella zeae, in which compound 5 a held excellent inhibition rate of 85.6 % against Fusarium oxysporum f. sp. Cucumerinu, and compound 5 d displayed a good and broad‐spectrum antifungal activity. Furthermore, a preliminary three‐dimensional quantitative structure‐activity relationship (3D‐QSAR) study was carried out by the CoMFA method for the inhibitory activity of the target compounds with aromatic R substituents against G. zeae, and a reasonable and effective 3D‐QSAR model (r2=0.992, q2=0.523) was established.
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