[关键词]
[摘要]
目的 通过数据挖掘、网络药理学及分子对接技术分析含桑椹的保健食品的组方规律并对其潜在的机制进行研究。方法 在国家市场监督管理总局特殊食品信息查询平台及药智网收集截至2025年9月13日的桑椹相关保健食品信息,通过频数统计、聚类分析、关联规则等方法分析保健食品的组方规律。通过中药系统药理学数据库与分析平台等数据库检索桑椹相关活性成分,运用SwissTargetPrediction预测潜在靶点,GeneCards等数据库检索主要保健功能相关的疾病靶点,运用UniProt数据库规范靶基因名称,借助Venny、STRING数据库筛选出潜在靶点。然后进行蛋白质相互作用网络分析,根据度(degree)值筛选出核心靶点,并在DAVID数据库进行基因本体(gene ontology,GO)和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)通路富集分析。最后,利用分子对接技术验证潜在靶点和关键成分的作用亲和力。结果 符合筛选条件的含桑椹保健食品一共纳入243种,涉及中药原料177种,其中以清热药和补虚药为主;药性以温、平为主,药味以甘为主;归肺、心、肝经;剂型以胶囊剂最常见;排名前2位的保健功能为有助于增强免疫力和缓解体力疲劳。桑椹增强免疫力的潜在靶点453个、核心靶点10个;缓解体力疲劳的潜在靶点166个、核心靶点10个。桑椹通过肿瘤坏死因子信号通路与脂质和动脉粥样硬化等信号通路发挥增强免疫力和缓解体力疲劳的作用。分子对接结果提示桑椹的关键成分与潜在靶点能自发且稳定地结合。结论 通过数据挖掘、网络药理学和分子对接研究,分析了含桑椹的保健食品相关信息,初步揭示桑椹主要保健功能的潜在靶点与作用途径,为桑椹后续产品的研发提供了理论依据。
[Key word]
[Abstract]
Objective To analyze the formulation patterns of health foods containing Sangshen (Mori Fructus) and investigate their potential mechanisms using data mining, network pharmacology, and molecular docking techniques. Methods Information on Mori Fructus-related health foods up to September 13, 2025, was collected from the Special Food Information Query Platform of the State Administration for Market Regulation and Yaozhi.com. Formulation patterns were analyzed using frequency statistics, cluster analysis, and association rule analysis. Active ingredients of Mori Fructus were retrieved from databases such as the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Potential targets were predicted using SwissTargetPrediction, while disease targets related to primary health functions were retrieved from databases like GeneCards database. Target gene names were standardized using the UniProt database. Potential targets were screened using Venny and STRING databases. Protein-protein interaction (PPI) network analysis was then performed, and core targets were screened based on degree values. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analyses were conducted using the DAVID database. Finally, molecular docking was employed to validate the binding affinity between core targets and key components. Results A total of 243 Mori Fructus-containing health foods meeting the inclusion criteria were included, involving 177 traditional Chinese medicine ingredients, primarily heat-clearing drugs and tonifying deficiency drugs. The medicinal properties were mainly warm and neutral; the medicinal flavor was predominantly sweet; the meridians entered the lung, heart, and liver channels. The most common dosage form was capsules. The top two health functions were helping to enhance immunity and helping to alleviate physical fatigue. For immunity enhancement, 453 potential targets and 10 core targets were identified. For alleviating physical fatigue, 166 potential targets and 10 core targets were identified. Mori Fructus exerts its effects on enhancing immunity and alleviating physical fatigue through signaling pathways such as the TNF signaling pathway and the lipid and atherosclerosis pathway. Molecular docking results indicated that the key components of Mori Fructus could spontaneously and stably bind to the core targets. Conclusion This study, utilizing data mining, network pharmacology, and molecular docking, analyzed information related to Mori Fructus-containing health foods and preliminarily revealed the potential targets and mechanistic pathways associated with the main health functions of Mori Fructus, providing a theoretical basis for the subsequent development of Mori Fructus-based products.
[中图分类号]
R285
[基金项目]