The First Clinical Medical College of Zhejiang Chinese Medicine University, Hangzhou, China.
Department of Otorhinolaryngology, Hangzhou TCM Hospital Affiliated to Zhejiang Chinese Medical University, Hangzhou, China.
Medicine (Baltimore). 2023 Mar 10;102(10):e33190. doi: 10.1097/MD.0000000000033190.
Allergic rhinitis is prone to recurrence, and clinical treatments focus on control symptoms; however there is no radical cure. Our aim was to use network pharmacology and molecular docking to reveal the hub genes, biological functions, and signaling pathways of Tongqiao Huoxue decoction against allergic rhinitis. First, the chemical components and target genes of Tongqiao Huoxue decoction were obtained from the Traditional Chinese Medicine Systems Pharmacology database. Similarly, allergic rhinitis targets were screened using online Mendelian Inheritance In Man and GeneCards database. Then, all potential targets of Tongqiao Huoxue decoction in the treatment of allergic rhinitis were identified, the Venn diagram was portrayed using R software, and protein-protein interaction network was built using String. The hub genes were analyzed using enrichment analyses. Finally, molecular docking was used to verify the reliability of the key gene prediction. The core targets for Tongqiao Huoxue decoction to improve allergic rhinitis were AKT1, TP53, IL6, and so on. The enrichment analysis results showed that Tongqiao Huoxue decoction treatment in allergic rhinitis might be involved in the AGE-RAGE signaling pathway and fluid shear stress and atherosclerosis pathway. The molecular docking verification indicated that its ingredients bound well to the core targets of allergic rhinitis, and stigmasterol's docking ability with TNF (-12.73 kcal/mol) is particularly prominent. Based on these findings, it may be deduced that stigmasterol treated allergic rhinitis by acting on TNF targets. But, this conclusion needs to be confirmed by further in vitro and in vivo trials.
变应性鼻炎容易复发，临床治疗以控制症状为主；但尚无根治方法。本研究旨在采用网络药理学和分子对接的方法，揭示通窍活血汤治疗变应性鼻炎的关键基因、生物学功能及信号通路。首先，从中药系统药理学数据库中获取通窍活血汤的化学成分和作用靶点；同样，使用在线孟德尔遗传在线数据库和基因卡片数据库筛选变应性鼻炎的靶点。然后，确定通窍活血汤治疗变应性鼻炎的所有潜在靶点，使用 R 软件绘制 Venn 图，并使用 String 构建蛋白质-蛋白质相互作用网络。采用富集分析对关键基因进行分析。最后，采用分子对接验证关键基因预测的可靠性。通窍活血汤改善变应性鼻炎的核心靶标为 AKT1、TP53、IL6 等。富集分析结果表明，通窍活血汤治疗变应性鼻炎可能与 AGE-RAGE 信号通路和流体剪切应激与动脉粥样硬化通路有关。分子对接验证表明，其成分与变应性鼻炎的核心靶点结合良好，特别是豆甾醇与 TNF（-12.73kcal/mol）的结合能力尤为突出。基于这些发现，推测豆甾醇可能通过作用于 TNF 靶点来治疗变应性鼻炎。但是，这一结论需要进一步的体外和体内试验来证实。
