Antioxidant potential of Mexican edible flowers: In vitro characterization, KEAP1-NRF2 docking, and ADME/T...

Mexican edible flowers have enormous gastronomic and cultural value, but their potential as functional ingredients remains largely unexplored. Although the antioxidant properties of phenolic compounds are well documented, limited information is available regarding the molecular mechanisms through which compounds derived from Mexican edible flowers may act, particularly in the KEAP1-NRF2 pathway, a central regulator of cellular antioxidant defenses. This research evaluates the antioxidant potential of five Mexican edible flowers using in vitro and in silico approaches, in addition to determining absorption and bioavailability through ADME/T predictions. All flowers contain considerable amounts of phenolic compounds, with gallic acid, epicatechin, and myricetin being the most abundant. Docking analyses further revealed that several phenolic compounds interact with the Kelch domain of KEAP1, identifying Ser363 and Arg415 as key residues involved in binding. These results were supported by a computational mutation analysis targeting the identified amino acids. Finally, ADME/T predictions estimated adequate absorption and bioavailability of the analyzed compounds. These findings are relevant for the revalorization of Mexican flowers as a functional resource with potential for promoting health, specifically through the development of functional foods that contribute to the prevention and management of diseases related to oxidative stress.