[1]杨继红,姚帅君,贺文彬,等.基于数据挖掘和分子对接探讨含党参方剂治疗消渴用药规律及分子机制研究[J].西部中医药,2025,38(08):30-36.[doi:10.12174/j.issn.2096-9600.2025.08.08]
　YANG Jihong,YAO Shuaijun,HE Wenbin,et al.Medication Rules of Dangshen-containing Prescription in the Treatment of Diabetes Mellitus and Study on Molecular Mechanism: Based on Data Mining and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2025,38(08):30-36.[doi:10.12174/j.issn.2096-9600.2025.08.08]
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基于数据挖掘和分子对接探讨含党参方剂治疗消渴用药规律及分子机制研究

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年08期
页码:
30-36
栏目:
二次研究
出版日期:
2025-08-15

文章信息/Info

Title:
Medication Rules of Dangshen-containing Prescription in the Treatment of Diabetes Mellitus and Study on Molecular Mechanism: Based on Data Mining and Molecular Docking
作者:
杨继红, 姚帅君, 贺文彬, 李钦青, 温岩, 闫敬来
山西中医药大学，山西 晋中 030619
Author(s):
YANG Jihong, YAO Shuaijun, HE Wenbin, LI Qinqing, WEN Yan, YAN Jinglai
Shanxi University of Traditional Chinese Medicine, Jinzhong 030619, China
关键词:
消渴; 党参; 数据挖掘; 分子对接; 网络药理学
Keywords:
data mining; molecular docking; network pharmacology
分类号:
R255.4
DOI:
10.12174/j.issn.2096-9600.2025.08.08
文献标志码:
A
摘要:
目的探讨含党参方剂治疗消渴的用药规律及其作用机制，为党参的临床应用及中药的开发利用提供一定参考。 方法基于数据挖掘方法，运用SPSS统计软件对治疗消渴的含有党参的方剂进行性味归经、常用药物配伍及组方规律分析；通过网络药理学方法分析党参治疗消渴的分子作用机制，并运用Cytoscape软件进行可视化分析；运用AutoDock、pymol等软件进行分子对接。 结果共得到183首治疗消渴的含党参方剂，发现30味高频中药；关联规则得到22个高频药物组合；聚类分析得到4组药物聚类组合；因子分析共提取得到11个公因子；网络药理学筛选得到党参活性成分31个，KEGG富集分析得到62条通路；分子对接结果显示半胱天冬酶3与鸢尾苷的结合活性最强。 结论含党参方剂通过调节表皮生长因子受体、半胱天冬酶3、白细胞介素6、血管内皮生长因子A等靶点，干预核因子κB、磷脂酰肌醇3-激酶/蛋白激酶B（phosphatidylinositol 3-kinase/protein kinase B，PI3K/AKT）、低氧诱导因子1（hypoxia-inducible factor-1，HIF-1）、AMP依赖的蛋白激酶（AMP-activated protein kinase，AMPK）等信号通路发挥对消渴的治疗作用。
Abstract:
ObjectiveTo provide some reference for clinical application of Dangshen (Codonopsis radix) and the development and utilization of Chinese medicine by discussing the medication rules and the mechanism of the prescription containing Dangshen in the treatment of Xiaoke (TCM term, diabetes mellitus, hereafter referred to as DM). MethodsOn the foundation of data mining, SPSS statistical software was applied to analyze the nature, flavors and meridian tropism, the combination of the commonly-used drugs and the medication rules of the prescriptions containing Dangshen for DM, and molecular mechanism of Dangshen in the treatment of DM was carried out via network pharmacology, and visual analysis was performed using Cytoscape software; AutoDock and pymol were used to carry out molecular docking. ResultsAll 183 Dangshen-containing prescriptions for DM were yielded, revealing 30 high-frequency herbs; 22 high-frequency drug combinations were obtained by association rules; four drug clustering combinations were gained by cluster analysis; 11 common factors were extracted by factor analysis; 31 active ingredients of Dangshen were obtained by network pharmacology, and 62 pathways were involved by KEGG enrichment analysis; the results of molecular docking discovered the strongest binding activity between cysteine protease 3 and tectoridin. ConclusionDangshen-containing prescriptions could exert therapeutic effects on DM by adjusting the targets including epidermal growth factor receptor, cysteine protease 3, interleukin-6, VEGFA, and intervening the pathways of nuclear factor-κB, PI3K/AKT, HIF-1 and AMPK.

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备注/Memo

备注/Memo:
杨继红（1966—），女，博士学位，研究馆员。研究方向：中医药文献整理及应用研究。山西省科技基础条件平台项目（201605D121011）；山西省国际科技合作重点研发项目（201803D421006）；山西中医药大学科研项目（2020PY-FZ-15）。
更新日期/Last Update: 2025-08-15