目的 运用UPLC-Q-TOF-MS/MS技术分析鉴定三妹木（Lespedeza formosa）的化学成分，结合网络药理学、分子对接及实验验证预测三妹木抗炎作用的质量标志物（Q-Marker），并测定其含量。方法 运用UPLC-Q-TOF-MS/MS技术对三妹木的化学成分进行分析；采用网络药理学搜集与抗炎作用相关的作用靶点；建立“中药活性成分-活性靶点-通路”网络图，最终选取活性强度前5的化合物作为配体与筛选后的疾病靶点基因进行分子对接；利用脂多糖（LPS）诱导RAW264.7细胞，构建体外炎症模型，采用Griess法检测细胞上清液中一氧化氮（NO）的分泌量；采用HPLC法对其中木犀草素、槲皮素、山柰酚进行含量测定。结果 在瑶药三妹木提取物中共鉴定出70种化学成分；富集分析得到与抗炎相关作用的54个潜在作用靶点，交集作用靶点得到京都基因与基因组百科全书（KEGG）通路152条（P＜0.01）；分子对接验证成分芹菜素、木犀草素、山柰酚、香叶木素、槲皮素与靶点蛋白结合活性良好。Griess法显示，与对照组比较，LPS组NO释放量显著升高（P＜0.05），与LPS组相比，各给药组NO释放量均显著降低（P＜0.05）。含量测定结果显示，木犀草素、槲皮素、山柰酚质量分数分别为0.085～0.095、0.285～0.293、0.111～0.116 mg·g^-1。结论 对瑶药三妹木化学成分进行了较全面地研究，初步预测了三妹木发挥抗炎作用的质量标志物，为三妹木物质基础及关键质量属性研究提供依据。

Objective To analyze the chemical composition of the Yao medicine Lespedeza formosa by UPLC-Q-TOF-MS/MS, and to analyze the quality markers of the Yao medicine L. formosa for its anti-inflammatory effect by combining network pharmacology and molecular docking technology and its content was determined. Methods The chemical composition of the Yao medicine L. formosa was analyzed by UPLC-Q-TOF-MS/MS, and the network pharmacology was used to collect the targets related to anti-inflammatory effects, to establish the network diagram of "active ingredient-active target-pathway in traditional Chinese medicine", and the top five compounds were selected as the ligands to be molecularly docked with the screened disease target genes. The top five active compounds were selected as ligands to be molecularly docked with the screened disease target genes, and RAW264.7 cells were induced by LPS to construct an in vitro inflammation model, and the nitric oxide (NO) secretion in the cell supernatant was detected by the Griess method. Determination of the content of the components by HPLC method. Results A total of 70 chemical components were identified in the extract of the Yao medicine L. formosa; Enrichment analysis yielded 54 potential targets of action related to anti-inflammatory effects, and 152 KEGG pathways were obtained by intersecting the targets of action (P < 0.05); Molecular docking verified that the components apigenin, luteolin, kaempferol, diosmetin, and quercetin had good binding activity to the target proteins. The Griess method showed that the amount of NO release from the LPS group compared to the control group was significant (P < 0.05), and NO release was significant in all dosing groups compared to the LPS group (P < 0.05). The results of content determination showed that the contents of luteolin, quercetin, kaempferol were 0.085-0.095, 0.285-0.293 and 0.111-0.116 mg·g^-1, respectively. Conclusion A more comprehensive study on the chemical composition of the Yao medicine L. formosa was carried out, and the quality markers of L. formosa exerting anti-inflammatory effects were preliminarily predicted to provide a basis for the study on the material basis and key quality attributes of L. formosa.

R285.5

广西科技基地和人才专项（桂科AD21238031）；广西重点研发计划项目（桂科AB21196016）、广西壮瑶药重点实验室（桂科基字［2014］32号）；壮瑶药协同创新中心（桂教科研［2013］20号）；广西中医药大学2023年研究生创新项目（YCSY2023012）