Isolation and characterization of bioactive constituents from <i>Withania coagulans</i> Dunal with antioxidant and multifunctional enzyme inhibition potential, supported by docking, MD, and DFT studies.

ABSTRACT: Withania coagulans Dunal is a medicinal plant with potential therapeutic applications in neurodegenerative and metabolic disorders. This study aimed to isolate, structurally characterize, and evaluate the biological potential of withanolide-type compounds from Withania coagulans Dunal, with a focus on their antioxidant and enzyme inhibitory activities relevant to neurodegenerative and metabolic disorders. Two new withanolides (WTH1 and WTH2) and one known compound (WTH3) were isolated from W. coagulans. The methanol extract and its fractions were assessed for total phenolic and flavonoid contents, antioxidant capacity (DPPH, FRAP, phosphomolybdenum assays), and enzyme inhibitory activities against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), lipoxygenase,

SUBMITTER: Bibi H 

PROVIDER: S-EPMC12687130 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature