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中药方剂知柏安神汤治疗阻塞性睡眠呼吸暂停低通气综合征:网络药理学与分子对接方法

The traditional Chinese medicine formula Zhihan Anshen Tang (ZHAST) against obstructive sleep apnea hypopnea syndrome: network pharmacology and molecular docking approach.

作者信息

Li Cai-Li, Zhang Yu-Xiang, Zheng Xing-Jie, Li Shuo, Feng Jing

机构信息

Respiratory Department, Tianjin Medical University General Hospital, Tianjin, China.

Infectious Disease Department, Tianjin Haihe Hospital, Tianjin, China.

出版信息

Front Chem. 2025 Mar 10;13:1524087. doi: 10.3389/fchem.2025.1524087. eCollection 2025.

DOI:10.3389/fchem.2025.1524087
PMID:40129771
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11931058/
Abstract

INTRODUCTION

The current treaments for Obstructive Sleep Apnea Hypopnea (OSAHS) are Continuous Positive Airway Pressure (CPAP) and lifestyle modifications, which is not suitable for all patients. Traditional Chinese medicine (TCM) has increasingly demonstrated its efficacy and benefits in treating OSAHS. Zhihan Anshen Tang (ZHAST), has been demonstrated its efficacy and clinical metrics for treating OSAHS patients. However, its key ingredients and mechanisms of action are still unknown.

METHODS

Using network pharmacology, we investigated the potential mechanisms of ZHAST through which OSAHS.

RESULTS

In addition, the key targets, including TNF, IL6, GAPDH, STAT3, HIF1A, and JUN, are revealed by the topological analysis. According to the findings of the GO enrichment analysis, genes were enriched in inflammatory responses, hypoxia responses, positive regulation of angiogenesis, protein phosphorylation, and regulation of cell proliferation. KEGG pathway enrichment analysis suggests that the signaling pathway of ZHAST in OSAHS are MAPK and AGE-RAGE signaling pathway, especially in diabetic complications. In addition, it is demonstrated that the enoxolone in ZHASTs have high affinity with the relevant targets by molecular docking and molecular dynamics simulations.

DISSCUSSION

To my knowledge, this is the first network pharmacological molecular docking study about a Chinese medicine effective against OSA. This investigation integrates molecular docking and network pharmacology to identify the effective compounds, related targets, and potential mechanism of ZHASTs in the treatment of OSAHS, providing the prospect of traditional Chinese medicines with modern medical research.

摘要

引言

阻塞性睡眠呼吸暂停低通气综合征(OSAHS)目前的治疗方法是持续气道正压通气(CPAP)和生活方式改变,但并非适用于所有患者。中医在治疗OSAHS方面越来越显示出其疗效和益处。止鼾安神汤(ZHAST)已被证明对治疗OSAHS患者有效且有临床指标支持。然而,其关键成分和作用机制仍不清楚。

方法

我们运用网络药理学研究了ZHAST治疗OSAHS的潜在机制。

结果

此外,通过拓扑分析揭示了关键靶点,包括肿瘤坏死因子(TNF)、白细胞介素6(IL6)、甘油醛-3-磷酸脱氢酶(GAPDH)、信号转导和转录激活因子3(STAT3)、缺氧诱导因子1α(HIF1A)和原癌基因蛋白(JUN)。根据基因本体(GO)富集分析结果,基因富集于炎症反应、缺氧反应、血管生成的正调控、蛋白质磷酸化和细胞增殖调控。京都基因与基因组百科全书(KEGG)通路富集分析表明,ZHAST在OSAHS中的信号通路是丝裂原活化蛋白激酶(MAPK)和晚期糖基化终末产物受体(AGE-RAGE)信号通路,尤其是在糖尿病并发症中。此外,通过分子对接和分子动力学模拟表明,ZHAST中的甘草次酸与相关靶点具有高亲和力。

讨论

据我所知,这是第一项关于治疗OSA的中药的网络药理学分子对接研究。本研究整合了分子对接和网络药理学,以确定ZHAST治疗OSAHS的有效化合物、相关靶点和潜在机制,为传统中药与现代医学研究提供了前景。

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