目的 通过网络药理学、分子对接探究黄精治疗妊娠期糖尿病的活性成分及作用机制。方法 通过TCMSP、TCMIP和BATMAN-TCM数据库筛选黄精活性成分，借助SwissTargetPrediction数据库筛选黄精活性成分的潜在作用靶点，利用GeneCards、DisGeNET和OMIM检索妊娠期糖尿病的疾病靶点，使用Venny 2.1绘制韦恩图获得共同靶点，借助STRING数据库绘制交集靶点蛋白互作网络（PPI）、Cytoscape 3.10.0软件筛选关键靶点。利用微生信在线平台进行基因本体论（GO）功能和京都基因和基因百科全书（KEGG）富集分析。使用Cytoscape 3.10.0构建“药物-成分-靶点-通路-疾病”网络图并行拓扑学分析。利用AutoDock Vina软件行分子对接，Pymol 2.4软件将结果可视化。结果 得到22种黄精活性成分，102个黄精与妊娠期糖尿病的共同靶点。黄精治疗妊娠期糖尿病作用的主要成分有5,4′-二羟基黄酮、黄芩素、新甘草苷、甘草素，作用于核心靶点表皮生长因子受体（EGFR）、过氧化物酶体增生激活受体γ（PPARG）、雌激素受体1（ESR1）、前列腺素内过氧化物合成酶2（PTGS2），调控磷脂酰肌醇3激酶（PI3K）/蛋白激酶B（Akt）信号通路、高级糖基化终产物（AGEs）-晚期糖基化终产物受体（RAGE）等通路发挥治疗妊娠期糖尿病的作用。分子对接结果表明黄精的活性成分5,4′-二羟基黄酮、黄芩素、新甘草苷、甘草素与关键靶点PTGS2、PPARG、ESR1、EGFR、低氧诱导因子-1A（HIF-1A）结合能力好。结论 黄精主要通过作用于PTGS2、PPARG、ESR1、EGFR等靶点，调控PI3K/Akt、AMPK等信号通路治疗妊娠期糖尿。

Objective To explore the components and mechanism of Polygonati Rhizoma in treatment of gestational diabetes mellitus by network pharmacology and molecular docking. Methods The active components of Polygonati Rhizoma were screened through the TCMSP, TCMIP, and BATMAN-TCM database, and the potential targets of the active components were screened through the SwissTargetPrediction database. The disease targets of gestational diabetes mellitus were retrieved through GeneCards, DisGeNET, and OMIM. The Venny 2.1 software was used to draw a Venn diagram to obtain the common targets. The STRING database was used to draw the PPI of the intersection targets, and the Cytoscape 3.10.0 software was used to screen the key targets. The Weishengxin online platform was used for GO function and KEGG enrichment analysis. The “drug–component–target–pathway–disease” network diagram was constructed using Cytoscape 3.10.0 and topological analysis was performed. Molecular docking was performed using AutoDock Vina software, and the results were visualized using Pymol 2.4 software. Results 22 Active components of Polygonati Rhizoma and 102 common targets of Polygonati Rhizoma and gestational diabetes mellitus were obtained. The main components of Polygonati Rhizoma in treatment of gestational diabetes mellitus were 5,4'-dihydroxyflavone, baicalein, neoliquiritin, and liquiritigenin, which act on the core targets EGFR, PPARG, ESR1, and PTGS2, regulated the PI3K/Akt signaling pathway, AMPK signaling pathway and other pathways plays a role in treatment of gestational diabetes mellitus. The molecular docking results showed that the active components of Polygonati Rhizoma, 5,4'-dihydroxyflavone, baicalein, neoliquiritin, and liquiritigenin had good binding ability with the key targets EGFR, PPARG, ESR1, and PTGS2. Conclusion Polygonati Rhizoma mainly treats gestational diabetes mellitus by acting on PTGS2, PPARG, ESR1, EGFR targets, and regulating PI3K/Akt signaling pathway, AMPK signaling pathway.

R285.5

泰安市科技创新发展项目（ 2020NS141， 2021NS372， 2023NS440）