RT Journal Article
T1 Antioxidant and Antidiabetic Potential of the Antarctic Lichen Gondwania regalis Ethanolic Extract: Metabolomic Profile and In Vitro and In Silico Evaluation
A1 Torres Benítez, Alfredo
A1 Ortega-Valencia, Jose Erick
A1 Jara-Pinuer, Nicolás
A1 Ley-MArtinez, Jaqueline Stephanie
A1 Herrera Velarde, Salvador
A1 Pereira, Iris
A1 Sánchez Gómez-Serranillos, Marta
A1 Gómez-Serranillos Cuadrado, María Pilar
A1 Carlo Sasso, Ferdinando
A1 Simirgiotis, Mario
A1 Caturano, Alfredo
AB Lichens are an important source of diverse and unique secondary metabolites with recognized biological activities through experimental and computational procedures. The objective of this study is to investigate the metabolomic profile of the ethanolic extract of the Antarctic lichen Gondwania regalis and evaluate its antioxidant and antidiabetic activities with in vitro, in silico, and molecular dynamics simulations. Twenty-one compounds were tentatively identified for the first time using UHPLC/ESI/QToF/MS in negative mode. For antioxidant activity, the DPPH assay showed an IC50 value of 2246.149 µg/mL; the total phenolic content was 31.9 mg GAE/g, the ORAC assay was 13.463 µmol Trolox/g, and the FRAP assay revealed 6.802 µmol Trolox/g. Regarding antidiabetic activity, enzyme inhibition yielded IC50 values of 326.4513 µg/mL for pancreatic lipase, 19.49 µg/mL for α-glucosidase, and 585.216 µg/mL for α-amylase. Molecular docking identified sekikaic acid as the most promising compound, with strong binding affinities to catalytic sites, while molecular dynamics confirmed its stability and interactions. Toxicological and pharmacokinetic analyses supported its drug-like potential without significant risks. These findings suggest that the ethanolic extract of Gondwania regalis is a promising source of bioactive compounds for developing natural antioxidant and antidiabetic therapies.
PB MDPI
YR 2025
FD 2025-02-28
LK https://hdl.handle.net/20.500.14352/125804
UL https://hdl.handle.net/20.500.14352/125804
LA eng
NO Torres-Benítez, A.; Ortega-Valencia, J.E.; Jara-Pinuer, N.; Ley-Martínez, J.S.; Velarde, S.H.; Pereira, I.; Sánchez, M.; GómezSerranillos, M.P.; Sasso, F.C.; Simirgiotis, M.; et al. Antioxidant and Antidiabetic Potential of the Antarctic Lichen Gondwania regalis Ethanolic Extract: Metabolomic Profile and In Vitro and In Silico Evaluation. Antioxidants 2025, 14, 298. https:// doi.org/10.3390/antiox14030298
NO Comisión Colombiana del Océano—Programa Antártico Colombiano
NO Instituto Antártico Chileno
DS Docta Complutense
RD 19 ene 2026