摘要
目的 旨在运用网络药理学和分子对接技术，深入探究蒙药经典方剂清咽六味散（QYLWS）在治疗急性咽炎中的药效物质基础及其作用机制。方法 利用传统中药系统药理学数据库（TCMSP）及文献资料，筛选出 QYLWS中的主要有效活性成分及其作用靶点；通过GeneCards和OMIM数据库收集急性咽炎相关的疾病靶点，并运用Venny 2.1工具确定药物与疾病的共有靶点；利用STRING数据库进行蛋白质相互作用分析，构建PPI网络，并进行拓扑分析以识别关键靶点。同时，使用Cytoscape 3.10.3软件构建药物－活性成分－靶点网络；采用DAVID数据库对共有靶点进行GO（Gene Ontology）和KEGG（Kyoto Encyclopedia of Genes and Genomes）富集分析，以揭示QYLWS在治疗急性咽炎过程中的生物学过程、分子功能、细胞组分及KEGG信号通路，并通过AutoDockTools软件进行分子对接验证。结果 筛选出 QYLWS治疗急性咽炎的槲皮素、柚皮素、苯海拉明等3个核心成分，核心靶点AKT1、IL6、TP53、TNF、CASP3等10个，关键通路涉及癌症途径、脂质与动脉粥样硬化、PI3K-Akt信号通路等20个。分子对接结果亦证实，关键靶点蛋白与核心活性成分之间具有良好的结合活性。结论 本研究初步阐明了QYLWS通过多成分、多靶点、多通路的复杂机制发挥其抗感染治疗作用，为QYLWS的临床应用及深入研究提供了坚实的科学依据。
关键词： 急性咽炎；清咽六味散；网络药理学；药效物质；作用机制
Abstract
Objective To explore the pharmacological substance basis and mechanism of action of the classic Mongolian medicine formula Qingyan Liuwei San in the treatment of acute pharyngitis using network pharmacology and molecular docking technology. Methods Using the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP) and literature data, the main active ingredients and their targets in Qingyan Liuwei San were screened; Collect disease targets related to acute pharyngitis through GeneCards and OMIM databases, and use Venny 2.1 tool to identify common targets between drugs and diseases; Using STRING database for protein interaction analysis, constructing PPI network, and conducting topological analysis to identify key targets. Meanwhile, Cytoscape 3.10.3 software was used to construct a drug active ingredient target network; Using the DAVID database, GO(Gene Ontology) and KEGG(Kyoto Encyclopedia of Genes and Genomes) enrichment analysis were performed on common targets to reveal the biological processes, molecular functions, cellular components, and KEGG signaling pathways of Qingyan Liuwei San in the treatment of acute pharyngitis. Molecular docking validation was performed using AutoDockTools software. Results Three core components, including quercetin, naringenin and diphenhydramine, were screened out from Qingyan Liuwei Powder for the treatment of acute pharyngitis, 10 core targets, including AKT1, IL6, TP53, TNF and CASP3, and 20 key pathways, including cancer pathway, lipid and atherosclerosis, and PI3K Akt signaling pathway. The molecular docking results also confirmed that there is good binding activity between the key target protein and the core active ingredient. Conclusion This study preliminarily elucidated the anti-inflammatory therapeutic effect of Qingyan Liuwei San through a complex mechanism of multiple components, targets, and pathways, providing a solid scientific basis for the clinical application and in-depth research of Qingyan Liuwei San.
Key words： Acute pharyngitis; Qingyan Liuwei San; Network pharmacology; Pharmacological substance; Mechanism of action
参考文献 References
[1] 孔庆新, 东方, 孙兰, 等. 荔枝草治疗急性咽炎有效部位筛选[J]. 世界科学技术-中医药现代化, 2022,24(2):686-693.
[2] Anjos L M M, Marcondes M B, Lima M F, et al. Streptococcal Acute Pharyngitis[J]. REVISTA DA SOCIEDADE BRASILEIRA DE MEDICINA TROPICAL, 2014,47.
[3] Cots J M, Alos J, Barcena M, et al. Recommendations for management of acute pharyngitis in adults[J]. Acta Otorrinolaringol Esp, 2015,66(3):159-170.
[4] 乌兰图雅, 包勒朝鲁. QYLWS治疗急性咽炎的研究进展[J]. 世界临床药物, 2022,43(8):1063-1066.
[5] 苏日固格. 蒙医药治疗慢性咽炎临床观察[J]. 中国民族医药杂志, 2018,24(10):29.
[6] 红霞. 《中华人民共和国卫生部药品标准》蒙药分册药材部分内容补正(上)[J]. 中国民族医药杂志, 2008,14(3):35-38.
[7] 康秀荣, 康沃德乐, 董翠艳. 蒙药 QYLWS抗炎作用机制研究[J]. 中国民族医药杂志, 2018,24(12):34-37.
[8] 李洵珣, 金晨, 陈康, 等. 基于网络药理学和分子对接分析丰城鸡血藤治疗乳腺癌的分子靶点和机制[J]. 中国药理学通报, 2022,38(5):767-775.
[9] 赛罕其其格. 木香药理研究进展和临床应用[J]. 中国蒙医药（蒙）, 2024,19(3):122-126.
[10] Wetzker R, Rommel C. Phosphoinositide 3-kinases as targets for therapeutic intervention[J]. Curr Pharm Des, 2004, 10(16):1915-1922.
[11] Di Lorenzo A, Fernandez-Hernando C, Cirino G, et al. Akt1 is critical for acute inflammation and histamine-mediated vascular leakage[J]. Proc Natl Acad Sci U S A, 2009, 106(34):14552-14557.
[12] Scaldaferri F, Vetrano S, Sans M, et al. VEGF-A links angiogenesis and inflammation in inflammatory bowel disease pathogenesis[J]. Gastroenterology, 2009,136(2):585-595.
[13] Bradley J R. TNF-mediated inflammatory disease[J]. J Pathol, 2008,214(2):149-160.
[14] Mukhopadhyay S, Hoidal J R, Mukherjee T K. Role of TNFalpha in pulmonary pathophysiology[J]. Respir Res, 2006,7(1):125.
[15] Kang S, Narazaki M, Metwally H, et al. Historical overview of the interleukin-6 family cytokine[J]. J Exp Med, 2020,217(5).
[16] Di Petrillo A, Orru G, Fais A, et al. Quercetin and its derivates as antiviral potentials: A comprehensive review[J]. Phytother Res, 2022,36(1):266-278.
[17] Wang Q, Yang J, Zhang X, et al. Practical Synthesis of Naringenin[J]. Journal of Chemical Research, 2015,39:455-457.
[18] Salehi B, Fokou P V T, Sharifi-Rad M, et al. The Therapeutic Potential of Naringenin: A Review of Clinical Trials[J]. Pharmaceuticals (Basel), 2019,12(1).
[19] Pinho-Ribeiro F A, Zarpelon A C, Fattori V, et al. Naringenin reduces inflammatory pain in mice[J]. Neuropharmacology, 2016,105:508-519.
[20] 郭静微. 苯海拉明联合复方氟米松软膏对接触性皮炎患者炎症因子水平及免疫功能的影响[J]. 实用医技杂志, 2020,27(7):892-893.
[21] 赵飞燕, 高蕊, 刘静, 等. 急性咽炎中医病证诊断与疗效评价专家共识[J]. 中国循证医学杂志, 2025,25(09):993-1000.