This study investigates the anticancer potential of isocordoin, a prenylated chalcone found in Adesmia balsamica. In vitro assays on colorectal (HT-29), breast (MCF-7) and prostate (PC-3) cancer cell lines, together with a non-cancerous colon cell line (CoN CCD841), revealed that isocordoin is cytotoxic, with PC-3 and MCF-7 cells showing the highest sensitivity. The selectivity index was higher for PC-3 (5.2) than for MCF-7 (3.7) and HT-29 (2.9). Isocordoin induced morphological changes suggestive of apoptosis in tumor cells. Mechanistic studies on HT-29 and MCF-7 lines indicated that isocordoin might possess antioxidant properties while promoting the loss of mitochondrial membrane potential and caspases activation. Molecular docking showed a favorable interaction of isocordoin with caspase-3, which could explain its apoptotic effects. In silico predictions suggest that isocordoin has drug-like properties, including good absorption and permeability to the blood-brain barrier. The presence of the prenyl chain in isocordoin appears crucial for cytotoxic activity, supported by its higher lipophilicity and better interaction with caspase-3 compared to non-prenylated 2′,4′-dihydroxychalcone. Overall, isocordoin demonstrates promising anticancer activity, warranting further investigation as a potential therapeutic agent.

Bioinsecticides based on essential oils (EOs) are promising alternatives for agricultural insect control. In this study, the main compounds of Baccharis macraei EOs from two geographical areas were identified using gas chromatography–mass spectrometry (GC-MS). The insecticidal potential against Drosophila melanogaster, Tenebrio molitor, and Galleria mellonella was evaluated, along with acetylcholinesterase (AChE) inhibition and molecular docking analysis. GC-MS analysis revealed oxygenated sesquiterpenes, such as spathulenol, caryophyllene oxide, and α-cadinol. The EO from Site 1 (S₁) exhibited insecticidal activity with lethal dose 50 (LD₅₀) values of 46.50, 465.76, and 241.2 µg/mL for D. melanogaster, T. molitor, and G. mellonella, respectively. The EO from Site 2 (S₂) showed LD₅₀ values of 74.81, 385.62, and 195.2 µg/mL for the same pests. AChE inhibition yielded inhibitory concentration 50 (IC₅₀) values of 12.8 ± 0.13 µg/mL for S₁ and 11.7 ± 0.07 µg/mL for S₂. Molecular docking analysis revealed a strong binding energy between α-cadinol and AChE. These results highlight that EOs from B. macraei are effective and serve as a natural alternative to traditional insecticides.

Monilinia fructicola causes brown rot on a wide variety of stone fruits, causing several losses in the field and during storage of fruits. Due to the diverse biological activity of chalcones and their derivatives, they have emerged as a promising alternative for controlling phytopathogenic fungi. The aim of this study was to synthesize 3′,4′-methylenedioxychalcone derivatives and evaluate their in vitro inhibitory effect on mycelial growth and the conidial germination of M. fructicola. Additionally, a molecular docking study and the prediction of lipophilicity were carried out to investigate their chemical behavior. The results showed that compound F exhibited the most potent antifungal activity, with EC₅₀ and MIC values of 20.61 µg/mL and <10 µg/mL for mycelial growth and conidial germination, respectively, presenting an adequate lipophilicity (Log p values = 2.79), which would allow proper diffusion through the fungal cell membrane. The in silico study revealed a great number of interactions between compound F and the different active sites of the succinate dehydrogenase enzyme, suggesting a favorable interaction with a binding energy score value of −6.9 kcal/mol, similar to CBE, the native ligand of this enzyme. These types of compounds could provide preventive protection in various stone and other crops.

Postharvest fungal rot causes significant economic losses in the agroindustry. Current control methods involving the use of synthetic fungicides are becoming increasingly ineffective and pose environmental risks. This necessitates exploring sustainable alternatives, such as essential oils derived from medicinal plants, to achieve safer and effective disease control. This research examined the chemical composition and efficacy of essential oils from Aloysia citriodora, Aloysia polystachya and their compounds against the postharvest rot fungi Monilinia fructicola, Monilinia laxa, and Botrytis cinerea. The main compounds of essential oils were analyzed by GC/MS and revealed differences in their composition. A. citriodora is characterized by the presence of spathulenol and caryophyllene oxide. In contrast, A. polystachya is characterized by the predominance of carvone. The results show that the essential oil of A. citriodora and the compound farnesol are able to inhibit the three pathogens. Notably, against M. fructicola, the EC₅₀ values were 61.89 μg/mL and 72.18 μg/mL, respectively. Against B. cinerea, the EC₅₀ values were 85.34 μg/mL and 47.6 μg/mL. Molecular docking also showed that farnesol has affinity for the enzyme succinate dehydrogenase suggesting a possible mechanism of action. This compound and A. citriodora essential oil show potential in the control of phytopathogens.

The aim of this study was to investigate the chemical composition and antifungal activity of the essential oil extracted from leaves of Peumus boldusof the coastal drylands of Chile. The essential oil was characterized by gas chromatography-mass spectrometry. The antifungal activity was evaluated by a microdilution assay against five strains of Candidaof clinical importance. P. boldusessential oil had a yield of 0.32% and nineteen compounds were identified in the analysis, mostly ascaridol (49.95%), o-cymene (13.45%) and eucalyptol (9.71%). All yeast strains tested were sensitive to P. boldusessential oil, with C. guillermondibeing the most sensitive, with a minimum inhibitory concentration (MIC) value of 8 μg/mL, twice lower than the MIC value of 16 μg/mL exhibited by fluconazole and itraconazole. These results suggest that P. boldusessential oil could be used as natural antifungal agents in free form or in a formulation against pathogenic yeasts.