Antioxidant properties and aldose reductase inhibitory potency of Viscum album L. extracts: experimental and computational insights

This study systematically investigates the antioxidant capacity and inhibitory impact of Viscum album L. plant extracts on the aldose reductase (AR) enzyme through a combined approach of in vitro and in silico methods. Various sections derived from distinct plant parts were examined, revealing potent inhibitory potential. Notably, the methanol extract sourced from the plant’s stem displayed remarkable efficacy with an IC50 value of 0.156 µM. Total phenolic content and antioxidant capacity analyses were conducted, highlighting variations across plant parts and solvent types. Qualitative and quantitative phenolic compound content in the extracts was elucidated by LC-MS/MS analysis, revealing higher levels of quinic acid, fumaric acid, and chlorogenic acid. Molecular docking studies further substantiated the inhibitory roles of key compounds like chlorogenic acid and fumaric acid, elucidating their interactions with specific amino acid residues within the AR enzyme’s active site and shedding light on the underlying mechanisms. Collectively, this study underscores Viscum album L. extracts as promising candidates for aldose reductase modulation. By merging experimental and computational techniques, the study presents a holistic understanding of natural compound interactions, potentially influencing drug development and herbal therapeutics.