目的 基于网络药理学和分子对接技术探讨黄精治疗炎症性肠病的作用机制。方法 通过TCMSP、ETCM、Batman-TCM数据库检索黄精的活性成分、活性成分的对应靶点；利用GeneCards、TTD、OMIM、PmarmGKB数据库检索炎症性肠病靶点；通过韦恩图绘制平台获取黄精和炎症性肠病共同的作用靶点，使用Cytoscope 3.10.3软件和String在线分析平台进行分析，构建蛋白相互作用（PPI）网络，并筛选出关键活性成分和核心靶点；基于核心作用靶点进行基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析；通过Autodock tools 1.5.7软件进行分子对接验证。结果 共预测到16种黄精有效成分、215个成分作用靶点、4 298个炎症性肠病相关靶点、130个黄精和炎症性肠病共同的作用靶点；degree值前5位的活性成分包括高丝氨酸、黄芩苷元、β-谷甾醇、天冬氨酸和薯蓣皂苷元；关键靶点包括蛋白激酶B1（Akt1）、基质金属蛋白酶9（MMP9）、雌激素受体1（ESR1）、半胱氨酸天冬氨酸蛋白酶-3（CASP3）、肿瘤蛋白53（TP53）；GO功能富集分析结果显示生物过程主要涉及对外源物质刺激的反应、细胞对含氮化合物的反应和氨基酸代谢过程等；细胞组分主要为树突、线粒体基质和线粒体膜等；分子功能主要与蛋白质同源二聚化活性、氧化还原酶活性和蛋白质结构域特异性结合有关。KEGG主要集中于集中于癌症相关通路、神经活性配体–受体相互作用、脂质和动脉粥样硬化、丝裂原活化蛋白激酶（MAPK）信号通路和白细胞介素-17（IL-17）信号通路等。结论 黄精可能通过多成分、多靶点和多通路整合调节治疗炎症性肠病。

Objective To explore the mechanism of Polygonati Rhizoma in treating inflammatory bowel disease based on network pharmacology and molecular docking technology. Methods The active ingredients and corresponding targets of Polygonatum sibiricum were collected from the TCMSP, ETCM, and Batman-TCM database. GeneCards, TTD, OMIM, and PmarmGKB databases were used to search the disease targets of inflammatory bowel disease. The targets shared by Polygonatum sibiricum and inflammatory bowel disease were obtained through the Venny diagram platform, and analysis was performed using Cytoscope 3.10.3 software and String online analysis platform to construct PPI networks, and screen out key active ingredients and core targets. Enrichment analysis of GO and KEGG based on the core target. Autodock tools 1.5.7 software was used to verify the molecular docking. Results A total of 16 active ingredients, 215 component targets of action, 4 298 inflammatory bowel disease disease-related targets, and 130 targets of action common to Polygonati Rhizoma and inflammatory bowel disease were predicted. The top five active ingredients with a degree value include homoserine, baicalein, β-sitosterol, aspartic acid, and diosgenin. The key targets include Akt1, MMP9, ESR1, CASP3, and TP53. The results of GO functional enrichment analysis showed that biological processes were mainly involved in response to xenobiotic stimulus, cellular response to nitrogen compound and amino acid metabolic process, etc, cellular components were mainly dendrite, mitochondrial matrixs, and mitochondrial membrane, etc, and molecular functions were mainly associated with protein homodimerization activity, oxidoreductase activity and protein domain specific binding. KEGG mainly focuses on pathways in cancer, neuroactive ligand-receptor interaction, lipid and atherosclerosis, MAPK signaling pathway, and IL-17 signaling pathway. Conclusion Polygonati Rhizoma may integrate modulation for the treatment of inflammatory bowel disease through multi-component, multi-target and multi-pathway integration.

R286.5

山东省医药卫生科技项目（202403030887）