| 摘要: |
| 目的:分析辛夷花散治疗过敏性鼻炎(AR)肺经伏热证患儿的临床疗效,基于网络药理学和分子对接技术初步探讨辛夷
花散治疗儿童 AR 的机制。 方法:临床研究方面,采用辛夷花散治疗 35 例 AR 肺经伏热证患儿,治疗 2 周后观察患儿临床症状
及体征改善情况。 机制研究方面,应用中药系统药理数据库与分析平台(TCMSP)筛选辛夷花散核心中药所含有的活性成分及
存在的潜在靶点,利用 CytoScape 3. 10. 1 软件构建“中药-活性成分-靶点”网络图。 检索 DrugBank Online、在线人类孟德尔遗传
数据系统(OMIM)及药物靶点数据库(TTD)、GeneCards 等数据库中 AR 的疾病相关靶点。 利用 R 语言 4. 3. 2 绘制“中药-疾病
靶点”韦恩图,将交集靶点先导入 STRING 数据库,再导入 CytoScape 3. 10. 1 软件构建蛋白相互作用(PPI)网络图,筛选关键靶
点。 将关键靶点导入 DAVID 数据库进行基因本体(GO)和京都基因与基因组百科全书(KEGG)富集分析。 应用 AutoDock 4. 2
软件开展关键中药化合物与关键靶点蛋白的分子对接,并通过 PyMol 2. 4. 0 软件达成对接结果可视化。 结果:临床研究方面,
治疗后总有效率为 91. 43%,其中显效 21 例,有效 11 例,无效 3 例。 治疗后主要症状、次要症状及体征评分均下降(P<0. 05)。
机制研究方面,从辛夷花散核心中药中筛选出 5 个关键活性成分(槲皮素、山奈酚、β-谷甾醇、豆甾醇、木犀草素等)及 243 个潜
在靶点。 筛选出 AR 相关靶点 2 426 个,获得辛夷花散与 AR 交集靶点 124 个,筛选出肿瘤坏死因子(TNF)、白细胞介素(IL)-6、
RAC-α 丝氨酸/ 苏氨酸蛋白激酶(AKT1)、IL-1β、前列腺素内过氧化物酶 2(PTGS2)等 5 个关键靶点。 GO 富集结果显示,关键靶
点主要富集在炎症应答及雌激素反应元件结合等方面。 KEGG 富集结果显示,关键靶点主要富集在 IL-17 信号通路、辅助 T 细
胞(Th17)分化及 TNF 信号通路等。 分子对接结果显示,25 组结合能均≤-5. 00 kcal/ mol。 结论:辛夷花散治疗儿童 AR 临床疗
效显著,辛夷花散核心中药可能是通过多成分、多靶点、多通路达到治疗儿童 AR 的目的。 |
| 关键词: 儿童 过敏性鼻炎 辛夷花散 临床研究 网络药理学 分子对接 |
| DOI：doi:10.13407/j.cnki.jpp.1672-108X.2025.02.003 |
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| 基金项目: |
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| Clinical and Network Pharmacological Study on Xinyihua Powder in the Treatment of Children with Allergic Rhinitis of Lung Meridian with Latent Heat Syndrome |
| Zhang Qiongyue, Zhang Mengjie, Yan Lijie, Sheng Yifei, Han Yumeng, Li Yan |
| (Dongzhimen Hospital, Beijing University of Chinese Medicine, Beijing 100700, China) |
| Abstract: |
| Objective: To analyze the clinical efficacy of Xinyihua powder in the treatment of children with allergic rhinitis (AR) of
lung meridian with latent heat syndrome, and to explore the mechanism of Xinyihua powder in the treatment of children with AR based on
network pharmacology and molecular docking technology. Methods: In terms of clinical research, thirty-five children with AR of lung
meridian with latent heat syndrome were treated with Xinyihua powder, the improvement of clinical symptoms and signs was observed
after two weeks of treatment. In terms of mechanism, the Traditional Chinese Medicine Systemic Pharmacology Database and Analysis
Platform (TCMSP) was used to screen active components and potential targets of the core traditional Chinese medicines in Xinyihua
powder, and CytoScape 3. 10. 1 software was employed to construct the “ traditional Chinese medicine-active components-targets”
network diagram. DrugBank Online, On-line Mendelian Inheritance in Man ( OMIM), Therapeutic Target Database ( TTD), and
GeneCards databases were retrieved to obtained AR-related targets. R language 4. 3. 2 was used to draw Venn diagram, the intersection
targets were firstly imported into the STRING database, and then imported into CytoScape 3. 10. 1 software to construct protein-protein
interaction (PPI) network diagram, and the key targets were screened. Key targets were imported into the DAVID database for Gene
Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Molecular docking of key traditional
Chinese medicine compounds with key target proteins was performed by using AutoDock 4. 2 software, with results visualized through
PyMol 2. 4. 0. Results: In terms of clinical research, the total effective rate after treatment was 91. 43%, with 21 cases showing marked
improvement, 11 cases showing improvement and 3 cases showing no effect. Compared with before treatment, the scores of major
symptoms, minor symptoms and signs decreased after treatment ( P < 0. 05). In terms of mechanism, five key active components
(quercetin, kaempferol, β-sitosterol, stigmasterol and luteolin) and 243 potential targets were identified from the core traditional
Chinese medicine of Xinyihua powder. Totally 2,426 AR-related targets were identified, with 124 intersection targets between Xinyihua
powder and AR. Five key targets were identified: tumor necrosis factor (TNF), interleukin-6(IL-6), RAC-α serine / threonine protein
kinase (AKT1), IL-1β and prostaglandin endoperoxidase-2 (PTGS2). GO enrichment analysis indicated that these key targets were
mainly involved in inflammatory responses and estrogen response element binding. KEGG enrichment analysis revealed the involvement in
pathways such as the IL-17 signaling pathway, T helper cells ( Th17) differentiation pathway and TNF signaling pathway. Molecular
docking demonstrated that the binding energies of 25 docking pairs were ≤-5. 00 kcal/ mol. Conclusion: The clinical efficacy of Xinyihua
powder in the treatment of children with AR is significant, mainly through the multi-component, multi-target and multi-pathway. |
| Key words: children allergic rhinitis Xinyihua powder clinical research network pharmacology molecular docking |
