Rapid identification of xanthine oxidase-inhibiting component compounds from alfalfa extract by enzyme-interacting dereplication of UPLC-ESI-MS/MS profiling and molecular docking
- Resource Type
- Authors
- Hsu, Su-Jung; Verpoorte, Robert; Lin, Shu-Mei; Lee, Ching-Kuo
- Source
- Subject
- Alfalfa
Composition profiling dereplication
Hyperuricemia
Molecular Docking
Xanthine oxidase inhibitor
- Language
- English
Table S1. The residues located in the active site of 1N5X, which make the most important H-bond and hydrophobic interactions in screening nine potent compounds. Figure S1. (A) UPLC-G2-QTOF/MS chromatogram of alfalfa crude extract. (B) apigenin as the standard.(C) MS/MS fragmentations of apigenin.