基于网络药理学和分子对接探讨半夏-陈皮药对治疗阻塞性睡眠呼吸暂停低通气综合征作用机制
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R285

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广东省自然科学基金面上项目(2023A1515011576)


Exploration on Mechanism of Pinelliae Rhizoma-Citri Reticulatae Pericarpium Herbal Pair in the Treatment of Obstructive Sleep Apnea-Hypopnea Syndrome Based on Network Pharmacology and Molecular Docking
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    摘要:

    目的:本研究利用网络药理学和分子对接方法探讨半夏-陈皮药对在治疗阻塞性睡眠呼吸暂停低通 气综合征(OSAHS) 中的作用机制。方法:通过中医药系统药理学平台(TCMSP) 和GeneCards等数据库筛选 半夏-陈皮的活性成分及其靶点,确定与OSAHS 相关的共有靶点。构建韦恩图和蛋白-蛋白相互作用网 络(PPI),并进行GO和KEGG富集分析,最后可视化分子对接结果。结果:共鉴定出17种活性成分,135个 靶点,其中药物与疾病的共有交集靶点32个。GO 分析显示生物过程涉及872项,细胞成分47项,分子功 能46项。KEGG通路分析主要涉及放松素信号通路、缺氧诱导因子-1(HIF-1) 信号通路、内分泌抗性以及脂 质与动脉粥样硬化等。分子对接结果表明主要活性成分与核心靶点之间具有较好结合力。结论:半夏-陈皮药 对中的β-谷甾醇、柚皮素和黄芩苷等活性成分可能通过作用于基质金属蛋白酶9(MMP9)、过氧化物酶体增殖 物激活受体(PPARG) 和转化生长因子β1 (TGFβ1) 等靶点,调节放松素和HIF-1信号通路,从而发挥治疗 OSAHS的潜在作用。

    Abstract:

    Abstract:Objective:To explore the mechanism of the Pinelliae Rhizoma-Citri Reticulatae Pericarpium herbal pair in the treatment of obstructive sleep apnea-hypopnea syndrome (OSAHS) using network pharmacology and molecular docking. Methods: Active components and the targets of Pinelliae Rhizoma-Citri Reticulatae Pericarpium were screened through databases such as the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and GeneCards,and common targets related to OSAHS were then determined. Venn diagrams and protein-protein interaction (PPI) networks were constructed, and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed. Molecular docking results were then visualized. Results:A total of 17 active components were identified,and 135 targets were identified,of which 32 were common targets between the herb and OSAHS. GO analysis revealed 872 biological processes, 47 cellular components, and 46 molecular functions. KEGG pathway analysis highlighted involvement in the relaxin signaling pathway, hypoxiainducible factor-1 (HIF-1) signaling pathway, and endocrine resistance, and lipid metabolism with atherosclerosis. Molecular docking yielded strong binding affinity between the primary active components and core targets. Conclusion: Active components such as β -sitosterol, naringenin, and baicalin in the Pinelliae Rhizoma-Citri Reticulatae Pericarpium herbal pair may exert potential therapeutic effects on OSAHS by targeting matrix metalloproteinase 9 (MMP9), peroxisome proliferator-activated receptor γ (PPARG), and transforming growth factor β1( TGFβ1), thereby modulating the relaxin and HIF-1 signaling pathways.

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杨美玲,曾林生,莫之准,刘禹翔.基于网络药理学和分子对接探讨半夏-陈皮药对治疗阻塞性睡眠呼吸暂停低通气综合征作用机制[J].新中医,2025,57(14):171-177

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  • 在线发布日期: 2025-07-26
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