食品与机械2025，Vol.41Issue(6)：9-16,8.DOI:10.13652/j.spjx.1003.5788.2025.80068
啤酒花来源的α-酸/黄腐酚与蛋白质Z相互作用及构效关系表征
Interaction and structure-activity relationship characterization of hop-derived α-acid/xanthohumol and protein Z
摘要
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.关键词
啤酒花/黄腐酚/α-酸/蛋白质Z/互作机制/分子动力学模拟/构效关系Key words
hop/xanthohumol/α-acid/protein Z/interaction mechanism/molecular dynamics simulation/structure-activity relationship引用本文复制引用
王立敏,彭孟妍,马长伟,吴子健..啤酒花来源的α-酸/黄腐酚与蛋白质Z相互作用及构效关系表征[J].食品与机械,2025,41(6):9-16,8.基金项目
天津市教委科研计划项目(编号:2023KJ208) （编号:2023KJ208）
