Quantitative-structure-activity relationship study to predict the antifungal activity of essential oils against Fusarium verticillioides

PIZZOLITTO, ROMINA P.; JACQUAT, ANDRÉS G.; USSEGLIO, VIRGINIA L.; ACHIMÓN, FERNANDA; CUELLO, ALEJANDRO E.; ZYGADLO, JULIO A.; DAMBOLENA, JOSÉ S.

FOOD CONTROL

ELSEVIER SCI LTD

Año: 2020 vol. 108

0956-7135

Fusarium verticillioides is the principal fungal pathogen affecting corn maize both in the field and/or during grainstorage. The efficiency of essential oils (EOs) as antifungals has been well established against many phytopathogenicfungi, so the aim of this QSAR study was to design a mathematical model using arbitrary descriptorsbased on EO components to predict antifungal activity. The EOs that reported the highest activity were Origanumspp. The results obtained in the QSAR analysis revealed a statistically significant model (P < 0.0001) whichpredicted the antifungal activity in a linear equation based on three EO component descriptors: the content ofoxygenated sesquiterpenes, content of phenolic compounds and/or the content of peroxide compounds by theircomposition. These descriptors permitted antifungal activity to be predicted of new EOs without any additionalinformation required, and thus this could be an aid in the search for EOs with the capacity to affect F. verticillioidesgrowth. To our knowledge, the present study constitutes the first QSAR study on the antifungal activityof the EOs. In addition, the strategy used to design the descriptors can be used in the study of other types ofcomplex mixtures.