通讯作者: 陈扬波, jiangjiahui1023@163.com

DOI：10.12201/bmr.202511.00088

• 摘要：目的 本研究旨在通过网络药理学方法及分子对接技术，系统阐释补中益气汤干预肌少症的潜在作用机制。方法 基于中药系统药理学数据库与分析平台（Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform，TCMSP）筛选补中益气汤中7味药材的活性成分；借助TCMSP及瑞士靶点预测（Swiss Target Predicition）数据库获得活性成分的靶点；从疾病数据库中提取肌少症相关疾病靶点；利用Venny 2.1.0在线工具绘制韦恩图，获取中药复方活性成分相关靶点及疾病靶点的交集；将交集靶点导入STRING数据库，构建蛋白质相互作用网络，进一步运用Cytoscape 3.10.3软件分别绘制“药物-成分-靶点”网络图和蛋白质-蛋白质相互作用（protein-protein interaction，PPI）网络图；在此基础上，通过Metascape平台开展基因本体功能（Gene Ontology，GO）及京都基因与基因组百科全书通路（Kyoto Encyclopedia of Genes and Genomes，KEGG）富集分析，以揭示其生物学过程与信号通路机制；最后，采用Autodock Vina 1.5.6进行核心成分与关键靶点的分子对接验证，并利用Pymol 3.0.3完成结果的可视化处理。结果 共检索到补中益气汤182个活性成分、1139个成分靶点，肌少症相关的疾病靶点415个，交集靶点62个。其中，筛选出5个主要活性成分，包括槲皮素、山柰酚、柚皮素、异槲皮酚、异鼠李素，以及6个核心靶点，包括蛋白激酶B1、肿瘤坏死因子、肿瘤蛋白P53、白介素-6、人雌激素受体1、白细胞介素-1β，涉及肿瘤坏死因子信号通路、胰岛素抵抗、脂肪细胞因子信号通路等；分子对接分析发现，补中益气汤的核心活性成分与肌少症的关键靶点之间表现出较强的结合活性与稳定性。 结论 补中益气汤可通过多重活性成分、作用靶点及生物学通路对肌少症发挥潜在治疗作用。

  关键词： 补中益气汤; 肌少症; 网络药理学; 分子对接技术

   

  Abstract: Objective This study aims to systematically elucidate the potential mechanism of Buzhong Yiqi formula in intervening Sarcopenia through network pharmacology and molecular docking techniques.Methods Active components of the 7 medicinal herbs in Buzhong Yiqi formula were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP);targets of these active components were obtained via TCMSP and the Swiss Target Prediction database;Sarcopenia-related disease targets were extracted from disease database;a Venn diagram was plotted using the online tool Venny 2.1.0 to identify the intersection between the targets of the active components in the Chinese herbal compound and the disease targets;the intersecting targets were imported into the STRING database to construct a protein-protein interaction(PPI) network,and furthermore,Cytoscape 3.10.3 software was used to draw the drug-component-target network diagram and the PPI network diagram,respectively;on this basis,Gene Ontology function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses were conducted using the Metascape platform to reveal the biological processes and signaling pathway mechanisms;finally,Autodock Vina 1.5.6 was used for molecular docking verification between core components and key targets,and Pymol 3.0.3 was employed to visualize the results.Results 182 active components and 1139 component targets of Buzhong Yiqi formula were retrieved,along with 415 Sarcopenia-related disease targets,resulting in 62 intersecting targets.Among these,5 main active components were screened out,including quercetin,kaempferol,naringenin,isotrifoliol, and isorhamnetin,and 6 core targets were identified,namely Protein kinase B1(AKT1),Tumor Necrosis Factor(TNF),Tumor Protein p53(TP53),Interleukin 6(IL6),Estrogen Receptor α(ESR1),and Interleukin 1beta(IL1β),which are involved in signaling pathways such as the TNF signaling pathway,insulin resistance,and the adipocytokine signaling pathway;molecular docking analysis showed that the core active components of Buzhong Yiqi formula exhibited strong binding activity and stability with the key targets of Sarcopenia.Conclusion Buzhong Yiqi formula can exert a potential therapeutic effect on Sarcopenia through multiple active components,action targets,and biological pathways.

  Key words: ; ; ; 

  提交时间：2025-11-27

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  1	2025-11-04	10.12201/bmr.202511.00088V1	下载

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