目的 通過基因表達(dá)綜合（GEO）芯片數(shù)據(jù)和分子對(duì)接技術(shù)探討蓮子心治療急性肝損傷（ALI）的潛在作用機(jī)制。方法 利用中藥系統(tǒng)藥理學(xué)數(shù)據(jù)庫與分析平臺(tái)（TCMSP）獲取蓮子心的化學(xué)成分及分子靶點(diǎn)；檢索GEO數(shù)據(jù)庫中ALI相關(guān)芯片數(shù)據(jù)，借助R語言分析差異基因；對(duì)蓮子心分子靶點(diǎn)與ALI差異基因進(jìn)行富集分析；將蓮子心分子靶點(diǎn)與ALI差異基因的交集基因作為關(guān)鍵基因，通過Cytoscape軟件尋找核心基因；利用分子對(duì)接技術(shù)分析蓮子心的化學(xué)成分與核心基因靶點(diǎn)的結(jié)合情況。結(jié)果 篩選出蓮子心化學(xué)成分9個(gè)，分子靶點(diǎn)190個(gè)；對(duì)GEO數(shù)據(jù)庫的GSE38941芯片分析，篩選出2 391個(gè)肝臟正常與損傷組織之間的差異基因，包括1 121個(gè)上調(diào)基因和1 270個(gè)下調(diào)基因；比對(duì)ALI差異基因與蓮子心靶點(diǎn)京都基因與基因組百科全書（KEGG）富集分析，推測(cè)蓮子心治療ALI與AMP活化的蛋白質(zhì)激酶（AMPK）信號(hào)通路、Apelin信號(hào)通路關(guān)系密切；對(duì)蓮子心治療ALI的關(guān)鍵基因網(wǎng)絡(luò)拓?fù)浞治?，篩選出11個(gè)蓮子心治療ALI潛在基因靶點(diǎn)，分子對(duì)接驗(yàn)證表明配體與受體具有較好的結(jié)合活性。結(jié)論 蓮子心通過多靶點(diǎn)、多途徑發(fā)揮對(duì)ALI的治療作用，其機(jī)制可能與脂質(zhì)代謝及氧化應(yīng)激反應(yīng)有關(guān)。

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.

R285

國家自然科學(xué)基金資助項(xiàng)目（82204877）；陜西省科技廳項(xiàng)目（2024JC-YBQN-0963）