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Main characteristic metabolites with xanthine oxidase inhibitory activities from Yunnan Coffea arabica husks

Year: 2026
Type: article
Abstract: -IT-TOF analysis, antioxidant and xanthine oxidase (XO) inhibitory assays. A total of 55 main characteristic compounds were identified and their detailed mass spectrometry cleavage patterns were elucidated. Chlorogenic acid analogs as key bioactive constituents comprised over 66% of the identified phenols, which spontaneously bind to XO, with binding energy ranging from -4.46 to -3.32 kcal/mol. The antioxidant activities of di-substituted chlorogenic acids were significantly higher than those of mono-substituted molecules. Flavonoids from the "husks" with XO inhibitory activities were attributed to the flavone skeleton, in which the presence of a stable chromone group was vital. These results provided novel perspectives for discovery of XO inhibitors from widely discarded natural by-products like coffee "husks".
Authors: Hong Wang, Li Wan, Yu Wang, Yan Li, Wenli Zhao, Wenjuan Liang
Language: English
Subfield: Pharmacology
Field: Medicine
Open Access status: gold
Estimated APC paid: $2,330
OpenAlex ID: W7128016127
FWCI: 11.59
Cites: 51
Cited by: 3
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