GCMS, phytochemical analysis, biological potential of dichloromethane extract of Yucca elephantipes regel roots: in vitro and in silico studies.

tThe present research verified the presence of important phytochemicals in the dichloromethane extract of Y. elephantipes Regel roots through qualitative screening, GC-MS analysis, and evaluation of antioxidant and anti-inflammatory potential. Phytochemical analysis confirmed flavonoids, phenols, saponins, and tannins. GC-MS detected 41 components, including benzaldehyde 2,4-dinitrophenyl hydrazone (100%), heptanoic acid docosyl ester (83.01%), phthalic acid benzyl isobutyl ester (77.41%), stigmasterol (23.37%), and cholesterol (22.04%). Antioxidant activity was determined by hydrogen peroxide and ferrous reducing assays. The extract showed antioxidant activity increased in concentration-dependent manner with 67.94 ± 1.04% inhibition in the hydrogen peroxide assay and 71.51 ± 0.69% in the ferrous reducing assay, compared to ascorbic acid 85.14 ± 0.82% and 86.75 ± 1.05%, respectively. The extract exhibited significant anti-inflammatory activity (55.04 ± 2.3%, IC50 = 29.2 ± 2.4 µg/ml) via the ROS method, compared to ibuprofen (73.20 ± 1.7%, IC50 = 11.2 ± 1.9 µg/ml). Molecular docking explored ligand-target interactions, while SwissADME predicted ADME properties. These findings highlight Y. elephantipes as a source of phytochemicals with potential antioxidant and anti-inflammatory applications for oxidative stress and inflammatory conditions..