In Vitro/In Silico Potential of High-Yield Essential Oils for Management of Postharvest Fungi

Background/Objectives: Microbial infections represent a major challenge in the food processing chain. Postharvest fungal control has historically relied on chemical control; however, their use is increasingly restricted due to environmental and health risks. Therefore, the aim of this study was to evaluate the antifungal potential of essential oils obtained from high-yield plant species and characterize the potential mechanisms of action of their major volatiles, with the goal of proposing a prospective formulation for the control of postharvest fungi. Methods: Cinnamon, rosemary, allspice, and Peruvian pepper essential oils were extracted by hydrodistillation, tested against Botrytis cinerea and Colletotrichum sp., and analyzed by gas chromatography-mass spectrometry. Finally, in silico bioactivity analyses were performed on the most abundant volatiles. Results: Cinnamon and rosemary produced the most effective oils against both fungal species. Cinnamaldehyde, cinnamyl acetate, eugenol, methyleugenol, (+)-2-bornanone, eucalyptol, α-phellandrene, and β-myrcene were some of the most abundant volatiles in the analyzed oils. In silico analyses predicted 56 antifungal mechanisms, including inhibition of cell membrane and wall synthesis, affectation of primary metabolism, inhibition of molecular processes, redox homeostasis, and protein degradation and cutinase inhibition. The last one is a specific mechanism mediating in vivo plant-fungal interactions found exclusively in β-terpinene and β-ocimene. Conclusions: Compounds with cutinase inhibition activity such as β-terpinene and β-ocimene are of great potential to complement the activity of other bioactive compounds. According to literature and in silico analyses the mixture of cinnamaldehyde, eugenol, β-terpinene and β-ocimene could be a potential formulation for the management of postharvest fungi.