Abstract
［Objective］ To investigate the interaction mechanism and structure -activity relationship between two hop -derived small molecules different in structure (α-acid and xanthohumol ) and barley protein Z.［Methods］ α-acid and protein Z with high purity are prepared through solvent extraction and anion exchange column,respectively.The interaction between α-acid/xanthohumol and protein Z,as well as the conformational change of protein,is characterized by multi -spectral analysis.Finally,the interaction mode and molecular binding mechanism between α-acid/xanthohumol and protein Z are further investigated by molecular dynamics simulation.［Results］］ Both α-acid and xanthohumol can effectively quench the intrinsic fluorescence of protein Z,with α-acid inducing a red shift and xanthohumol causing a blue shift in fluorescence spectra.Additionally,the binding stoichiometry for both molecules approaches 1∶1.The molecular dynamics results reveal that hydrogen bonds and hydrophobic interactions are the main forces between the two hop -derived small molecules and protein Z.［Conclusion］ Xanthohumol exhibits a stronger affinity toward protein Z compared to α-acid.
Publication Date
7-3-2025
First Page
9
Last Page
16
DOI
10.13652/j.spjx.1003.5788.2025.80068
Recommended Citation
Limin, WANG; Mengyan, PENG; Changwei, MA; and Zijian, WU
(2025)
"Interaction and structure-activity relationship characterization of hop-derived α-acid/xanthohumol and protein Z,"
Food and Machinery: Vol. 41:
Iss.
6, Article 2.
DOI: 10.13652/j.spjx.1003.5788.2025.80068
Available at:
https://www.ifoodmm.cn/journal/vol41/iss6/2
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