| 韦晓愉1
，杜佩雯1
，关丽萍1
，张 斌1*
，陈光英2.诺丽酵素多糖改善2型糖尿病的网络药理学以及
分子对接[J].海南师范大学学报自科版,2025,38(4):435-443 |
| 诺丽酵素多糖改善2型糖尿病的网络药理学以及
分子对接 |
| Network Pharmacology and Molecular Docking Analysis of Noni Juice Polysaccharides in Alleviating Type 2 Diabetes Mellitus |
| |
| DOI：10.12051/j.issn.1674-4942.2025.04.009 |
| 中文关键词: 网络药理学 2型糖尿病 分子对接 诺丽酵素多糖 |
| 英文关键词: network pharmacology type 2 diabetes mellitus molecular docking Noni juice polysaccharide |
| 基金项目:：浙 江 省 教 育 厅 一 般 科 研 项 目（Y202457346）；海 南 省 热 带 药 用 植 物 化 学 重 点 实 验 室 开 放 基 金 项 目
（rdzw2025s02）；国家自然科学基金项目（22177023，22477021） |
|
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| 中文摘要: |
| 基于网络药理学以及分子对接方法预测诺丽酵素多糖改善2型糖尿病的相关机制。
通过查阅文献、SwissTarget Prediction数据库、PubChem获得诺丽酵素多糖化学成分结构信息并预
测其作用靶点。利用 Gene Cards、OMIM、DisGeNeT数据库检索2型糖尿病相关疾病基因靶点。基
于在线软件Venny 2.1获得二者交集靶点，后运用STRING数据库和Cytoscape软件绘制交集靶点蛋
白质相互作用网络图（PPI）和核心靶点网络图。通过检索DAVID 数据库对核心靶点进行基因本
体（GO）功能和基因组百科全书（KEGG）筛选分析关键信号通路，并对核心靶点和配体分子进行
分子对接。结果显示，通过网络药理学方法获得NJSP相关作用靶点56个、 T2DM 相关作用靶点
10 202个，二者交集靶点 46个、关键信号通路12条（淀粉和蔗糖代谢通路、PPAR信号通路、胰高血
糖素信号通路、胰岛素抵抗信号通路等）。经过分子对接分析后，筛选出5个NJSP缓解T2DM的核
心靶点蛋白，半乳糖醛酸可能为NJSP发挥缓解T2DM作用的重点配体。诺丽酵素多糖可能通过激
活PPAR信号通路、胰岛素抵抗通路、cAMP信号通路等发挥作用。分子对接结果与这些通路的核
心靶点（如PPARA、HMGCR）高度吻合，进一步验证了通路预测的合理性。 |
| 英文摘要: |
| Predicting the mechanism of Noni Juice polysaccharide in improving type 2 diabetes mellitus using network phar‐
macology and molecular docking. Obtaining structural information of Noni Juice polysaccharide chemical components and
predicting its therapeutic targets through literature review, the SwissTarget Prediction database, and PubChem. The genes
related to the disease targets of type 2 diabetes were retrieved through the Gene Cards, OMIM, and DisGeNet databases. The
intersection targets of the two databases were obtained using the online software Venny 2.1, and then the protein interaction network diagrams (PPI) and core target network diagrams of the intersection targets were drawn using the STRING database and
Cytoscape software. The core targets were screened for gene ontology (GO) functions and genome encyclopedia (KEGG) key
signaling pathways through the DAVID database, and molecular docking was performed on the core targets and ligand molecules.
Results showed that a total of 56 target proteins related to Noni Juice polysaccharide were obtained using a network pharmacology
approach, while 10 202 target proteins associated with type 2 diabetes mellitus were identified. The intersection of these targets
yielded 46 common targets, including 12 key signaling pathways such as the starch and sucrose metabolism pathway, PPAR
signaling pathway, glucagon signaling pathway, and insulin resistance signaling pathway. After molecular docking analysis, five core
target proteins of Noni Juice polysaccharide in alleviating type 2 diabetes mellitus were screened out, galacturonic acid may be the
key ligand mediating the therapeutic potential of Noni Juice polysaccharide in type 2 diabetes mellitus. Noni Juice polysaccharide
is likely to exert its effects through activation of signaling pathways such as the PPAR signaling pathway, insulin resistance pathway,
and cAMP signaling pathway. The molecular docking results showed high consistency with the core targets of these pathways,
further validating the rationality of the pathway predictions. |
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