食品与发酵工业 >

2025 , Vol. 51 >Issue 14: 228 - 235

DOI: https://doi.org/10.13995/j.cnki.11-1802/ts.042100

研究报告

基于网络药理学及分子对接探讨白桦茸防治阿尔兹海默病的潜在作用机制

  • 符丹丹 ,
  • 邵鑫源 ,
  • 张琦 ,
  • 张迪 ,
  • 彭心暖 ,
  • 刘燕山 ,
  • 孙建瑞 ,
  • 宫强
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  • 1(河南科技大学 食品与生物工程学院,河南 洛阳,471023)
    2(河南省食品微生物工程技术研究中心, 河南 洛阳,471023)
    3(微生物资源开发与利用河南科技大学重点实验室, 河南 洛阳, 471023)
第一作者: 博士,讲师 (通信作者, E-mail:fudandanly@126.com)

收稿日期: 2025-01-10

  修回日期: 2025-03-17

  网络出版日期: 2025-08-01

基金资助

河南省自然科学基金项目(242300420145)河南省科技攻关项目(232102110134)

收起

Potential mechanism of chaga mushroom in treatment of Alzheimer’s disease based on network pharmacology and molecular docking

  • FU Dandan ,
  • SHAO Xinyuan ,
  • ZHANG Qi ,
  • ZHANG Di ,
  • PENG Xinnuan ,
  • LIU Yanshan ,
  • SUN Jianrui ,
  • GONG Qiang
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  • 1(School of Food and Biological Engineering, Henan University of Science and Technology, Luoyang 471023, China)
    2(Henan Food Microbiology Engineering and Technology Research Center, Luoyang 471023, China)
    3(University Key Laboratory of Microbiology Resources Development and Utilization of Henan University of Science and Technology, Luoyang 471023, China)

Received date: 2025-01-10

  Revised date: 2025-03-17

  Online published: 2025-08-01

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摘要

该研究利用网络药理学和分子对接技术,进行了白桦茸的活性成分、关键靶点和信号通路分析,以明确白桦茸防治阿尔茨海默病(Alzheimer’s disease,AD)的潜在作用机制。从TCMSP等数据库和文献获得白桦茸的活性成分以及作用靶点,通过GeneCards等数据库获得疾病的靶点,得到白桦茸和阿尔茨海默病的共同作用靶点,通过String数据库构建共同靶点的蛋白质互作(protein-protein interaction,PPI)网络图,运用Cytoscape软件构建“活性成分-靶点”网络图,并通过DAVID和Metascape数据库进行GO富集和KEGG通路富集分析,再通过Autodock软件进行分子对接模拟。最终筛选得9种活性成分,阿尔茨海默病筛选到3 397个靶点,由PPI筛选得到MMP3、IL6、AKT1、IL10、TNF、MAPK1和HSP90AB1等关键靶点20个,由KEGG通路分析可知桦褐孔菌通过脂质和动脉粥样硬化通路、乙肝、人巨细胞病毒感染、白介素-17及阿尔茨海默病等信号通路发挥抗AD作用。由GO富集分析发现其与RNA聚合酶Ⅱ转录因子复合物、质膜的组成部分、RNA聚合酶Ⅱ启动子的pri-miRNA正调节转录通路等相关。将20个关键靶点与白桦茸活性成分分子对接,验证均能稳定结合,预测槲皮素等化学成分在缓解阿尔茨海默病中发挥重要作用。白桦茸通过多成分、多靶点、多通路干预脂质和动脉粥样硬化及阿尔茨海默病等多个信号通路,从而发挥白桦茸抗阿尔茨海默病的功能,为药食同源保健食品的开发提供理论依据。

关键词： 桦褐孔菌; 药食同源; 老年痴呆; 蛋白质-蛋白互作; 信号通路

本文引用格式

符丹丹 , 邵鑫源 , 张琦 , 张迪 , 彭心暖 , 刘燕山 , 孙建瑞 , 宫强 . 基于网络药理学及分子对接探讨白桦茸防治阿尔兹海默病的潜在作用机制[J]. 食品与发酵工业, 2025 , 51(14) : 228 -235 . DOI: 10.13995/j.cnki.11-1802/ts.042100

Abstract

To investigate the potential mechanisms of Chaga mushroom in the treatment of Alzheimer’s disease (AD), network pharmacology and molecular docking techniques were used to predict the active components, key targets, and signalling pathways.The active components and target genes of Inonotus obliquus were obtained from databases such as TCMSP and literature.The disease targets of AD were acquired through databases such as GeneCards to identify the common targets of Inonotus obliquus and Alzheimer’s disease.The protein-protein interaction (PPI) network diagram of common targets was constructed using the String database, and the interaction network of “active components-key targets” was constructed by Cytoscape software.GO and KEGG enrichment analyses were performed by DAVID and Metascape databases.Molecular docking simulations were conducted using Autodock software.Finally, 9 active components and 3 397 targets of Alzheimer’s disease were screened out.Twenty key targets were obtained by PPI, such as MMP3, IL6, AKT1, IL10, TNF, MAPK1, HSP90AB1, and so on.KEGG pathway analysis showed that Inonotus obliquus played an anti-AD role through the signalling pathways of lipid and atherosclerosis, hepatitis B, human cytomegalovirus infection, interleukin-17, Alzheimer’s disease, and so on.GO enrichment analysis showed that it was related to RNA polymeraseⅡtranscription factor complex, an integral component of the plasma membrane, positive regulation of pri-miRNA transcription from RNA polymeraseⅡpromoter, and so on.20 key targets were docked with their corresponding active components to verify that they could bind stably, which predicted that quercetin played an important role in alleviating Alzheimer’s disease.Chaga mushroom could interfere with multiple signalling pathways, such as lipid and atherosclerosis, as well as through multiple components and targets, providing theoretical support for the development of medicine and food homologous health foods.

Key words： Inonotus obliquus; homology of medicine and food; senile dementia; protein-protein interaction; signalling pathway

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