Jiang Sixia, Zhang Hong, Song Ya, Xiao Mingji, Hu Hao, Yu Shirui, Xie Feng
Department of Food Science and Engineering, Moutai Institute, Renhuai, 564502, People's Republic of China.
Institute of Biology, Guizhou Academy of Sciences, Guiyang, 50009, Guizhou, People's Republic of China.
Sci Rep. 2025 Jan 28;15(1):3600. doi: 10.1038/s41598-025-88160-8.
Hawk tea has received increasing attention for its unique flavor and potential health benefits, with antioxidant function being one of its significant bioactivities. However, the metabolic profiles, potential antioxidant components, and action mechanisms of different types of hawk tea are still unclear. In this study, the chemical components of five hawk teas were determined using untargeted metabolomics. Then, the potential antioxidant metabolites and their possible action mechanisms were revealed by integrating network pharmacology and molecular docking. The results showed that the metabolic profiles of various hawk teas differed significantly, but the content of flavonoids was the highest in each group. Network pharmacology analyses suggested that 11 potential antioxidant metabolites-four of which were the same metabolites with high levels in the five types, and seven were differential metabolites-could be involved in several metabolic pathways in vivo. These pathways included the MAPK and PI3K/AKT signaling pathways, which may be closely related to antioxidant activity. Finally, molecular docking revealed potential antioxidant metabolites bound to 25 core antioxidant targets through hydrogen bonding and hydrophobic interactions. Among them, artemisinin, astragalin, isoquercetrin, isoquercitrin, kaempferol-3-glucuronide, and UDP-L-rhamnose exhibited low binding energies to core antioxidant targets such as AKT1, RELA, and MTOR, forming stable conformation. These insights lay the basis for further elucidating the antioxidant mechanism of hawk tea.
鹰茶因其独特的风味和潜在的健康益处而受到越来越多的关注,抗氧化功能是其重要的生物活性之一。然而,不同类型鹰茶的代谢谱、潜在抗氧化成分及作用机制仍不明确。本研究采用非靶向代谢组学方法测定了五种鹰茶的化学成分。然后,通过整合网络药理学和分子对接揭示了潜在的抗氧化代谢产物及其可能的作用机制。结果表明,不同鹰茶的代谢谱存在显著差异,但每组中黄酮类化合物的含量最高。网络药理学分析表明,11种潜在的抗氧化代谢产物——其中4种是五种类型中含量较高的相同代谢产物,7种是差异代谢产物——可能参与体内的几种代谢途径。这些途径包括丝裂原活化蛋白激酶(MAPK)和磷脂酰肌醇-3-激酶/蛋白激酶B(PI3K/AKT)信号通路,它们可能与抗氧化活性密切相关。最后,分子对接显示潜在的抗氧化代谢产物通过氢键和疏水相互作用与25个核心抗氧化靶点结合。其中,青蒿素、紫云英苷、异槲皮苷、异槲皮素、山柰酚-3-葡萄糖醛酸和UDP-L-鼠李糖对AKT1、RELA和MTOR等核心抗氧化靶点表现出低结合能,形成稳定构象。这些见解为进一步阐明鹰茶的抗氧化机制奠定了基础。