FT-IR combining with chemometrics and network pharmacology ascertain the anti-diabetic mechanism of Polygonati rhizoma

文献类型： 外文期刊

第一作者： He, Qiong

作者： He, Qiong;Huang, Hengyu;Huang, Hengyu;He, Qiong;Yang, Shaobing;Wang, Yuanzhong

作者机构：

关键词： Polygonati rhizoma; Antidiabetic; Years of growth; Chemometrics

期刊名称：MICROCHEMICAL JOURNAL （ 影响因子：5.1； 五年影响因子：4.7 ）

ISSN： 0026-265X

年卷期： 2025 年 215 卷

页码：

收录情况： SCI

摘要： Polygonati rhizoma, a precious medicinal and edible homologous species, exhibits multiple therapeutic effects, including Qi-invigoration, Yin-nourishment, fortify the spleen, lung-moistening, and kidney-reinforcement. However, commercially motivated merchants frequently substitute short-growth-cycle herb species for long-growth-cycle species to maximize profits. Therefore, it is essential to develop robust technical methodologies for discriminating Polygonati rhizoma with different growth periods and to investigate its anti-diabetic mechanisms. Initially, 281 potential therapeutic targets were identified from public databases, with 14,627 diabetes-related genes retrieved from four established databases and the GEO database. Subsequent intersection analysis identified 252 overlapping therapeutic targets, facilitating the construction of a protein-protein interaction network. GO and KEGG analyses suggested the network's multi-target anti-diabetic effects. Finally, molecular docking elucidated the potential binding modes between the active compounds and ESR1, PIK3CA, SRC, and EGFR, followed by molecular dynamics simulations of the complex with the lowest binding energy. Notably, FT-IR combined with chemometric analysis, particularly the deep learning model (ResNet), demonstrated effective discrimination of 2, 3, 4, and 5 years Polygonati rhizoma samples. An integrated approach that combines traditional Chinese medicine component research with network pharmacology ensures quality control and elucidates the "multi-component, multi-target, multi-pathway" characteristics of Polygonati rhizoma's adjunctive anti-diabetic properties. Collectively, these findings provide a theoretical foundation for further investigation of its pharmacological mechanisms.

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