Antioxidant activity of Jatropha dioica Sessé and molecular docking of jatrophatrione with CCL11/CCR3
DOI:
https://doi.org/10.19136/era.a13nVI.5250Keywords:
Jatropha dioica root, molecular docking, eotaxin-1, wound healing, reactive oxygen speciesAbstract
Chronic skin wounds persist in an environment of oxidative stress and sustained inflammation in which CCL11-CCR3 signaling may interfere with tissue repair. Jatropha dioica Sessé is used in Mexican traditional medicine for skin lesions, although the molecular basis of this effect remains uncertain. This study measured the antioxidant response of a methanolic root extract and used molecular docking to explore the interaction of jatrophatrione with CCL11 and CCR3. Plant material collected in Lerdo, Durango, was macerated in methanol. Antioxidant activity was measured by DPPH, ABTS, FRAP, and ORAC, whereas CB-Dock2 and GPCRVS were used for the in silico analyses. The extract produced 84% DPPH inhibition, an ABTS IC50 of 4.9 micrograms per milliliter, 2.8 mmol Fe-2 g-1 in FRAP, and 16 371 µmol TE g-1 in ORAC. This response was associated mainly with the phenolic constituents of the extract. Jatrophatrione yielded a binding energy of -5.8 kcal mol-1 with CCL11 at the N-terminal region and a Vina score of -8.2 kcal mol-1 with CCR3 at the orthosteric site. These results support the antioxidant activity of J. dioica and suggest that jatrophatrione may interact with the CCL11-CCR3 axis. Confirmation in cell-based systems and animal models is still required.
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