目的 利用高效液相色譜-四極桿飛行時(shí)間串聯(lián)質(zhì)譜法（UPLC-Q-TOF-MS/MS）分析凹葉景天醋酸乙酯部位的化學(xué)成分，并結(jié)合網(wǎng)絡(luò)藥理學(xué)進(jìn)行凹葉景天抗肝癌質(zhì)量標(biāo)志物（Q-Marker）的預(yù)測(cè)分析。方法 利用UPLC-Q-TOF-MS/MS快速鑒定凹葉景天醋酸乙酯部位的化學(xué)成分；利用 Swiss ADME 平臺(tái)，根據(jù)篩選原則確定活性成分；運(yùn)用 Swiss TargetPrediction平臺(tái)預(yù)測(cè)凹葉景天的成分靶點(diǎn)，GeneCards平臺(tái)獲得相關(guān)疾病靶點(diǎn)，Venny平臺(tái)獲得成分和疾病的交集靶點(diǎn)，并構(gòu)建“活性成分-靶點(diǎn)”網(wǎng)絡(luò)；通過 String數(shù)據(jù)庫和 Cytoscape軟件構(gòu)建蛋白質(zhì)-蛋白質(zhì)相互作用（PPI）網(wǎng)絡(luò)，并篩選核心靶點(diǎn)；利用David數(shù)據(jù)庫對(duì)潛在的核心靶點(diǎn)進(jìn)行基因本體（GO）功能和京都基因與基因組百科全書（KEGG）通路富集分析；采用分子對(duì)接技術(shù)進(jìn)行驗(yàn)證。結(jié)果 從凹葉景天醋酸乙酯部位中共鑒定58個(gè)成分，黃酮類23個(gè)、有機(jī)酸類16個(gè)、酚類4個(gè)、香豆素類 4個(gè)、萜類 2個(gè)、苯酞類 2個(gè)等。網(wǎng)絡(luò)藥理學(xué)研究篩選出 39種活性成分，藥物-疾病靶點(diǎn) 140個(gè)；PPI網(wǎng)絡(luò)篩選出AKT1、EGFR、STAT3、CASP3、ESR1等18個(gè)核心靶點(diǎn)；富集分析顯示，凹葉景天主要以癌癥通路、PI3K-Akt信號(hào)通路、癌癥中的微小 RNA信號(hào)通路、MAPK信號(hào)通路等為主要信號(hào)通路，從而發(fā)揮抗肝癌的作用。分子對(duì)接結(jié)果顯示預(yù)測(cè)的 QMarker及核心靶點(diǎn)之間具有良好的親和力。結(jié)論 凹葉景天是通過多成分、多靶點(diǎn)、多途徑發(fā)揮抗肝癌的作用，預(yù)測(cè)出山柰素、異鼠李素、山柰酚、槲皮素、木犀草素、芹菜素和苜蓿素7個(gè)成分可作為凹葉景天抗肝癌的Q-Marker。

Objective UPLC-Q-TOF-MS/MS was used to analyze the chemical composition of ethyl acetate in Sedum emarginatum, and the predictive analysis of quality markers (Q-Marker) of anti-liver cancer in S. emarginatum was carried out combined with network pharmacology. Methods The chemical constituents of ethyl acetate fraction of S. emarginatum were rapidly identified by UPLC-Q-TOF-MS/MS. According to the screening principle, the active components were determined by Swiss ADME platform. The Swiss Target Prediction platform was used to predict the component targets of S. emarginatum. The GeneCards platform was used to obtain the related disease targets. The Venny platform was used to obtain the intersection targets of components and diseases, and the 'active component-target' network was constructed. The protein-protein interaction (PPI) network was constructed by String database and Cytoscape software, and the core targets were screened. Gene Ontology (GO) function enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG) signal pathway enrichment analysis of potential core targets were performed using the David database. Molecular docking technology was used for verification. Results A total of 58 components were identified from the ethyl acetate extract, including 23 flavonoids, 16 organic acids, four phenols, four coumarins, two terpenoids, and two phthalides etc. A total of 39 active components and 140 drug-disease targets were screened out by network pharmacology. Eighteen core targets such as AKT1, EGFR, STAT3, CASP3 and ESR1 were screened from PPI network. Enrichment analysis showed that S. emarginatumm played an anti-liver cancer role mainly through cancer pathway, PI3K-Akt signaling pathway, microRNA signaling pathway in cancer and MAPK signaling pathway, etc. Molecular docking results showed that there was a good affinity between the predicted Q-Marker and the core targets. Conclusion This study preliminarily clarified that S. emarginatum played an anti-liver cancer role through multi-component, multi-target and multi-pathway. It was predicted that kaempferide, isorhamnetin, kaempferol, quercetin, luteolin, apigenin and tricin could be used as Q-Marker for anti-liver cancer of S. emarginatum.

R285.5；R284

廣西自然科學(xué)基金資助項(xiàng)目（2023GXNSFAAO26364）；廣西研究生教育創(chuàng)新計(jì)劃項(xiàng)目（YCSW2023389）；國家中醫(yī)藥管理局高水平中醫(yī)藥重點(diǎn)學(xué)科建設(shè)項(xiàng)目-少數(shù)民族藥學(xué)（壯藥學(xué)）（zyyzdxk-2023165）；廣西壯瑤藥重點(diǎn)實(shí)驗(yàn)室（桂科基字〔2014〕32號(hào)）；壯瑤藥協(xié)同創(chuàng)新中心（桂教科研〔2013〕20 號(hào)）；廣西壯族自治區(qū)民族藥資源與應(yīng)用工程研究中心（桂發(fā)改高技函〔2020〕2605號(hào)）；廣西科技基地和人才專項(xiàng)（桂科 AD21238031）；廣西重點(diǎn)研發(fā)計(jì)劃項(xiàng)目（桂科 AB21196016）；廣西中醫(yī)藥重點(diǎn)學(xué)科壯藥學(xué)（GZXK-Z-20-64）；廣西一流學(xué)科中藥學(xué)（民族藥學(xué)）（桂教科研〔2018〕12號(hào)）；廣西高等學(xué)校千名中青年骨干教師教育計(jì)劃項(xiàng)目（桂教教師〔2022〕60 號(hào)）；廣西中醫(yī)藥大學(xué)“桂派杏林青年英才”培養(yǎng)項(xiàng)目（2022C032）