Guo Xichuang, Chen Xi, Zeng Mingwei, Xuan Tianming, Xue Jing, Chen Kang, Gong Jinyan, Song Gongshuai, Shen Qing
Zhejiang Provincial Key Lab for Biological and Chemical Processing Technologies of Farm Product, School of Biological and Chemical Engineering, Zhejiang University of Science and Technology, Hangzhou, Zhejiang, China.
Panvascular Diseases Research Center, The Quzhou Affiliated Hospital of Wenzhou Medical University, Quzhou People's Hospital, Quzhou, China.
NPJ Sci Food. 2025 Jul 5;9(1):124. doi: 10.1038/s41538-025-00481-0.
Medicinal food homology substances have served as a traditional means of overcoming many health complications, and gained increasing attention. Fritillaria Bulbus is used as an edible herbal food with medicinal food homology; however, its antioxidant efficacy substantially varies among different species. In this study, an integrated approach of UHPLC-Q-Exactive Orbitrap MS/MS-based metabolomics, network pharmacology, and molecular docking was used to compare the antioxidant activities of four FBs and identify the active compounds and potential mechanisms. A total of 143 metabolites were identified, predominantly comprising alkaloids. In vitro antioxidant tests revealed a positive correlation between alkaloids and their antioxidant capabilities. Network pharmacology predicted 17 differential and 44 shared compounds. Molecular docking assessed that seven alkaloids (peimisine、imperialine、peimine、solasodine、veratramine、cyclopamine and jervine) exhibited good affinity for the antioxidant targets. Key therapeutic targets AKT1 and ESR1 mediate antioxidant mechanisms through PI3K/AKT signaling. These findings provide insights into interspecies differences in FB's antioxidant properties.
药食同源物质一直是克服许多健康问题的传统手段，并越来越受到关注。川贝母是一种具有药食同源特性的可食用草药；然而，其抗氧化功效在不同物种间差异很大。在本研究中，采用了基于超高效液相色谱-四极杆-静电场轨道阱质谱联用（UHPLC-Q-Exactive Orbitrap MS/MS）的代谢组学、网络药理学和分子对接的综合方法，比较了四种川贝母的抗氧化活性，并鉴定了活性化合物和潜在机制。共鉴定出143种代谢物，主要为生物碱。体外抗氧化试验表明生物碱与其抗氧化能力呈正相关。网络药理学预测了17种差异化合物和44种共享化合物。分子对接评估出七种生物碱（浙贝母碱、帝王贝母碱、贝母素甲、茄解碱、藜芦胺、环杷明和介芬胺）对抗氧化靶点具有良好的亲和力。关键治疗靶点AKT1和ESR1通过PI3K/AKT信号传导介导抗氧化机制。这些发现为川贝母抗氧化特性的种间差异提供了见解。
