基于中医药整合药理学平台分析补肾活血颗粒治疗帕金森病的作用机制  

Analysing the mechanism of Bushen Huoxue Granules in the treatment of Parkinson′s disease Based on TCM Integrated Pharmacological Platform

作　　者：王鹏[1,2] 王亮 李绍旦[1] 杨明会 WANG Peng;WANG Liang;LI Shaodan;YANG Minghui(Department of Traditional Chinese Medicine,Chinese PLA General Hospital,Beijing 100048,China;Medical School of Chinese PLA,Beijing 100853,China)

机构地区：[1]解放军总医院中医医学部,北京100048 [2]解放军医学院,北京100853

出　　处：《沈阳药科大学学报》2023年第3期325-334,共10页Journal of Shenyang Pharmaceutical University

基　　金：国家自然科学基金资助项目(82130117);中组部“万人计划”科技创新领军人才基金;中医药传承与创新“百千万”人才工程(岐黄工程)—国家中医药领军人才支持计划。

摘　　要：目的借助于中医药整合药理学平台(TCMIP)研究补肾活血颗粒治疗帕金森病的作用机制。方法使用TCMIP的“中药(含方剂)靶标预测及功能分析”功能版块、“疾病相关分子集及其功能挖掘”和“中医药网络挖掘功能”,构建“BSHXG-PD”核心靶标网络图,并根据网络图拓扑值特征卡值筛选核心靶标;使用STRING构建核心靶标的PPI网络图,并使用Cytoscape进行计算分析;最终,绘制“方剂-中药材-疾病-靶标-通路”多维网络图;选择多维网络图相关化合物和前五位核心靶标进行分子对接验证,并使用PyMol将结果可视化,探究补肾活血颗粒治疗帕金森病的潜在作用机制。结果筛选得到补肾活血颗粒治疗PD的核心靶标90个;核心靶标基因功能和富集结果表明,补肾活血颗粒可能通过影响多巴胺受体、核转录因子、神经生长因子受体(p75NTR)水解、迷迭香酸生物合成途径、TRAF6介导NF-k B活化、小泛素相关修饰因子等机制起到治疗作用。结论补肾活血颗粒,适用于帕金森病各个病程的治疗,并根据预测筛选靶标与通路结果,可进一步通过实验研究分析其作用机制,为中医药防治老年性疾病提供研究思路。Objective To research the mechanism of Bushen Huoxue Granules in the treatment of Parkinson′s disease with the TCM Integrated Pharmacological platform(TCMIP).Methods The“BSHXG-PD”core target network diagram was constructed by using TCMIP′s“traditional Chinese medicine(TCM)target prediction and functional analysis”function module,“disease-related molecular set and its function mining”and“TCM network mining function”,and the core targets were screened according to the network graph′s topology value.A PPI network map of the core targets was constructed by using STRING and computationally analyzed by using Cytoscape.Ultimately,the“formula Chinese medicinal material disease target pathway”multidimensional network diagram was drawn.Multidimensional network plot related compounds and the top five core targets were selected for molecular docking validation,and the results were visualized using PyMol to explore the potential mechanism of Bushen Huoxue Granules for the treatment of Parkinson′s disease.Results Screening resulted in 90 core targets of Bushen Huoxue Granules for the treatment of PD.The core target gene functions and enrichment results suggest that Bushen Huoxue Granules may have therapeutic effects by affecting dopamine receptors,nuclear transcription factors,nerve growth factor receptor(p75NTR)hydrolysis,rosmarinic acid biosynthetic pathway,TRAF6 mediated NF-K B activation,small ubiquitin related modifiers,and other mechanisms.Conclusion Bushen Huoxue Granules is suitable for the treatment of all courses of Parkinson′s disease,and according to the prediction screening targets and pathways,their mechanism of action can be further analyzed through experimental studies,which may provide research ideas for the prevention and treatment of senile diseases in traditional Chinese medicine.

关 键 词：补肾活血颗粒 帕金森病 中医药整合药理学平台 网络药理学 分子对接 

分 类 号：R96[医药卫生—药理学]