目的 探討鐵包金Berchemia lineata (Linn.) DC.抗肝纖維化的作用機制，為臨床應用提供科學依據(jù)。方法 采用UPLC-Q-TOF-MS/MS技術快速鑒定壯藥鐵包金的化學成分，運用Swiss ADME平臺、中國知網(wǎng)、萬方數(shù)據(jù)、維普數(shù)據(jù)庫篩選活性成分，借助Swiss Target Prediction、GeneCard等平臺預測鐵包金成分靶點及疾病靶點，構建“藥物-活性成分-靶點”網(wǎng)絡。通過String數(shù)據(jù)庫構建蛋白相互作用（PPI）網(wǎng)絡，Cytoscape 3.7.0軟件進行拓撲分析篩選核心靶點，David數(shù)據(jù)庫進行基因本體（GO）功能和京都基因與基因組百科全書（KEGG）通路富集分析，分子對接技術驗證活性成分與核心靶點的結合。結果 鑒定出鐵包金100個活性成分，篩選出72個活性成分及152個藥物-疾病靶點。PPI網(wǎng)絡篩選出信號傳導和轉錄激活因子3（STAT3）、腫瘤壞死因子（TNF）、半胱氨酸蛋白酶3（CASP3）、蛋白激酶B1（Akt1）、腫瘤抑癌蛋白p53（TP53）、白蛋白（ALB）、B淋巴細胞瘤-2基因（Bcl-2）等核心靶點，主要涉及細胞外基質分解、受體復合物、酶結合等生物過程、細胞組分和分子功能，以及低氧誘導分子-1信號通路、凋亡脂質與動脈粥樣硬化、乙型肝炎、癌癥中的通路、磷酯酰肌醇3-激酶（PI3K）/Akt信號通路等。分子對接顯示活性成分與核心靶點結合能越低，提示結合越穩(wěn)定。結論 鐵包金主要活性成分（如柚皮素、異鼠李素等）通過核心靶點（如STAT3、CASP3等），調控低氧誘導分子-1信號通路、乙型肝炎、PI3K/Akt信號通路等，發(fā)揮抗肝纖維化作用，為壯藥鐵包金抗肝纖維化的研究提供了參考依據(jù)。

Objective To explore the underlying mechanism of Berchemia lineata in its anti-hepatic fibrosis effects, thereby furnishing a scientific rationale for its potential clinical utilization. Methods To identify the chemical constituents of Berchemia lineata by using UPLC-Q-TOF-MS/MS technology. To screen the active components through Swiss ADME platform, CNKI, Wanfang Data, and VIP databases, predict the component targets and disease targets by using platforms such as Swiss Target Prediction and GeneCards, and construct a “drug–active component–target”. To establish the PPI network by using the STRING database, and screen core targets through Cytoscape 3.7.0 software. GO functional and KEGG pathway enrichment analyses were performed using the DAVID database. Molecular docking technology was employed to validate the binding of active components to core targets. Results 100 Active ingredients of Berchemia lineata were identified, 72 active ingredients and 152 drug-disease targets were screened. PPI network screened the core targets of STAT3, TNF, CASP3, Akt1, TP53, ALB, Bcl-2, etc. It mainly involves biological processes such as extracellular matrix decomposition, receptor complex, enzyme binding, cell components and molecular functions, as well as hypoxa-induced molecule-1 signaling pathway, apoptotic lipids and atherosclerosis, hepatitis B, cancer pathways, and PI3K/Akt signaling pathway. Molecular docking showed that the lower the binding energy between the active ingredient and the core target, the more stable the binding. Conclusion Main active components of Berchemia lineata (such as naringenin, isorhamnetin, etc.) exert anti-hepatic fibrosis effects by regulating core targets (including STAT3, CASP3, etc.) and modulating signaling pathways such as hypoxia-inducible factor-1, hepatitis B, and PI3K/Akt. These findings provide a scientific basis for further research on the anti- hepatic fibrosis mechanisms of Berchemia lineata.

R285.5

國家重點研發(fā)計劃項目（2022YFC3502200）；廣西中醫(yī)藥重點學科建設項目（GZXK-Z-20-62）；國家中醫(yī)藥管理局高水平中醫(yī)藥重點學科建設項目（zyyzdxk-2023164）；全國名中醫(yī)黃漢儒學術思想及臨床經驗傳承推廣中心（2022V004）；廣西中醫(yī)外治法示范基地項目（桂中醫(yī)藥醫(yī)發(fā)〔2019〕14號）；廣西高校壯醫(yī)毒病研究重點實驗室（桂教科研[2022]10號）