Essential oil of ocimum gratissimum as a natural fungicide against pathogenic fungi of fruit crops and molecular docking studies Armanda Aparecida Júlio, A. N. Venancio, G. R. de Souza, M. E. G. da Silva, L. A. Parreira, et al. Brazilian Journal of Microbiology, 2026 Fungal diseases in fruit crops compromise productivity even when synthetic fungicides are applied. However, growing health and environmental concerns have made such products less attractive to consumers. In this context, the present study aimed to extract and characterise the essential oil (EO) from leaves and flowers of African basil ( Ocimum gratissimum L.) by hydrodistillation and to evaluate its bioactivity against the fungi Botrytis cinerea , Fusarium guttiforme and Colletotrichum musae . Average EO yields were 3.90% w/w (leaves) and 2.60% w/w (flowers). Chromatographic analysis identified four constituents, mainly mono- and sesquiterpenes, with eugenol as the major compound (> 80%). Both the EO and pure eugenol displayed fungicidal activity against F. guttiforme and C. musae at 0.50 and 0.80 µL mL⁻¹ (EO) and at 0.50 and 1.20 µL mL⁻¹ (eugenol), respectively. The EO and eugenol were fungistatic against B. cinerea in vitro . The EO also inhibited more than 95% of C. musae conidial germination from 0.20 µL mL⁻¹. In vivo assays, the EO reduced anthracnose severity in bananas. Molecular docking studies revealed that germacrene D and (E)-caryophyllene exhibited the strongest binding affinities to the fungal CYP51 enzyme, with binding energies of − 7.6 and − 7.3 kcal/mol, respectively, indicating their potential as effective antifungal agents. These findings indicate that African basil EO is a promising biofungicide and could be strategically integrated into sustainable crop protection programmes.
Copper(II)-Catalyzed One-Pot Synthesis of Chlorinated Phenolic Esters from Natural Phenols and Molecular Docking Evaluation Ana Flávia Nunes de Paula Azevedo, Aldino Neto Venancio, Luciana Alves Parreira, Erdi A. Aytarh, Mario Ferreira Conceição Santos, et al. Chemistry Africa, 2026 Chlorophenols are widely used intermediates in several chemical industry sectors, including pharmaceuticals and agrochemicals, and their esterification represents an attractive strategy for generating compounds with new physicochemical properties and added value. In this context, the study aimed to modify the natural phenols eugenol, thymol, and carvacrol via a sequential chlorination–esterification process using a simple, efficient catalytic system. The reactions were performed in a single reactor under an oxygen atmosphere, employing copper(II) chloride as the sole catalyst for both steps and acetic anhydride as the esterifying agent. This one-pot tandem approach enabled the synthesis of four unprecedented chlorinated and esterified derivatives with high conversion and selectivity: 4-allyl-2-chloro-6-methoxyphenyl acetate, 4-chloro-2-isopropyl-5-methylphenyl acetate, 2,4-dichloro-6-isopropyl-3-methylphenyl acetate, and 4-chloro-5-isopropyl-2-methylphenyl acetate. Reaction parameters, regioselectivity, and mechanistic aspects were experimentally investigated. In parallel, molecular docking studies were conducted to rationalize how chlorination and esterification influence the interaction profiles of these phenolic derivatives with xanthine oxidase, an enzyme involved in oxidative metabolism. The docking results revealed a consistent structure–affinity relationship, indicating that chlorination improves binding affinity, while esterification enhances geometric complementarity within the enzyme active site. It should be noted that these conclusions are based on in silico predictions; in vitro validation is required to confirm biological activity. Overall, this work demonstrates an efficient and sustainable synthetic route for the functionalization of natural phenols and shows that tandem catalysis can generate structurally optimized scaffolds for future structure–activity and enzyme-modulation studies.
Citrus Essential Oils in the Control of the Anthracnose-Causing Fungus Colletotrichum okinawense in Papaya Fruits Cássia Roberta de Oliveira Moraes, Aldino Neto Venancio, Marcos Paz Saraiva Camara, Cíntia dos Santos Bento, Luciana Alves Parreira, et al. International Journal of Plant Biology, 2025 Among the numerous diseases that affect papaya (Carica papaya L.) cultivation, anthracnose, caused by a complex of fungi from the genus Colletotrichum spp., stands out, primarily due to its damage to the commercial part of the papaya, the fruit, specifically the pulp. Although chemical control with synthetic molecules is the most commonly used method to combat anthracnose, it is not the most appropriate solution. The indiscriminate use of synthetic chemical products results in numerous harmful effects on the environment, the health of farmers, and the final consumers. Given these circumstances, the objective of this study was to analyze the efficacy of essential oils (EOs) from Citrus aurantium var. dulcis L., known as sweet orange, Citrus limon (L.), known as Sicilian lemon, and the major compound present in these oils, limonene, against the pathogens Colletotrichum okinawense, which cause anthracnose in papaya fruits. The percentage inhibition of mycelial growth was evaluated on the seventh day, with estimates of 50% and 90% inhibition, to compare the inhibitory effect among the fungal isolates. Chromatographic analysis revealed that sweet orange EO contains myrcene and limonene. Sicilian lemon essential oil includes myrcene, limonene, α- and β-pinene, and γ-terpinene. Both EOs and limonene exhibited activity against C. okinawense. The 50 µL/mL concentration was the most effective in inhibiting growth. The EOs and limonene showed similar IC50 values, with limonene at 48 µL/mL, Sicilian lemon EO at 51 µL/mL, and sweet orange EO at 57 µL/mL.
Natural Bio-stimulants for Seed Growth and Development Ana Carla Rangel Rosa, Leonardo Bindelli Verly, Giulia Stavrakas Miranda, Cecília Fernandes Patta Muller Marques, Gabriel Finotti Alves Vieira, et al. Advances in Seed Quality Evaluation and Improvement, 2025
