目的 通过基因表达综合（GEO）芯片数据和分子对接技术探讨莲子心治疗急性肝损伤（ALI）的潜在作用机制。方法 利用中药系统药理学数据库与分析平台（TCMSP）获取莲子心的化学成分及分子靶点；检索GEO数据库中ALI相关芯片数据，借助R语言分析差异基因；对莲子心分子靶点与ALI差异基因进行富集分析；将莲子心分子靶点与ALI差异基因的交集基因作为关键基因，通过Cytoscape软件寻找核心基因；利用分子对接技术分析莲子心的化学成分与核心基因靶点的结合情况。结果 筛选出莲子心化学成分9个，分子靶点190个；对GEO数据库的GSE38941芯片分析，筛选出2 391个肝脏正常与损伤组织之间的差异基因，包括1 121个上调基因和1 270个下调基因；比对ALI差异基因与莲子心靶点京都基因与基因组百科全书（KEGG）富集分析，推测莲子心治疗ALI与AMP活化的蛋白质激酶（AMPK）信号通路、Apelin信号通路关系密切；对莲子心治疗ALI的关键基因网络拓扑分析，筛选出11个莲子心治疗ALI潜在基因靶点，分子对接验证表明配体与受体具有较好的结合活性。结论 莲子心通过多靶点、多途径发挥对ALI的治疗作用，其机制可能与脂质代谢及氧化应激反应有关。

Objective To explore the mechanism of Nelumbinis Plumula in treatment of acute liver injury based on gene expression omnibus (GEO) data chip and molecular docking technology.Methods Using the traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) to obtain the effective active ingredients and molecular targets of Nelumbinis Plumula ; Retrieve ALI-related chip data from the GEO database, and analyze differentially expressed genes using R language; perform enrichment analysis on the molecular targets of Nelumbinis Plumula and ALI differentially expressed genes; Using the intersection of molecular targets in Nelumbinis Plumula and ALI differentially expressed genes as key genes, potential gene proteins were identified through Cytoscape software; Using molecular docking technology to analyze the binding interactions between the effective active components of Nelumbinis Plumula and the potential gene proteins associated with ALI.Results Nine active ingredients and 190 molecular targets were screened from Nelumbinis Plumula ; Analysis of the GSE38941 chip in the GEO database identified 2 391 differentially expressed genes, including 1 121 upregulated genes and 1 270 downregulated genes; Comparing ALI differentially expressed genes with Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis of targets of Nelumbinis Plumula, it was speculated that Nelumbinis Plumula treatment for ALI was closely related to the AMP-activated protein kinase (AMPK) signaling pathway and Apelin signaling pathway; Through topological analysis of the key gene network for Nelumbinis Plumula in treatment of ALI, 11 potential gene proteins related to the therapeutic effects of Nelumbinis Plumula on ALI were identified. Molecular docking validation demonstrated that the ligands and receptors exhibit strong binding affinity.Conclusion Nelumbinis Plumula exerts therapeutic effects on ALI through multiple targets and pathways, and its mechanism may be related to lipid metabolism and oxidative stress responses.

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国家自然科学基金资助项目（82204877）；陕西省科技厅项目（2024JC-YBQN-0963）