三黄洗剂治疗湿疹作用机制研究  

Research on the mechanism of Sanhuang Lotion in the treatment of eczema

作　　者：林梦 陈婷[1] 唐樑[1] 成旭东[1] 胡芳[1] 刘磊[1] 唐锦英 LIN Meng;CHEN Ting;TANG Liang;CHENG Xudong;HU Fang;LIU Lei;TANG Jinying(Department of Pharmacy,Suzhou Traditional Chinese Medicine Hospital Affiliated to Nanjing University of Chinese Medicine,Jiangsu Province,Suzhou 215009,China)

机构地区：[1]南京中医药大学附属苏州市中医医院药学部,江苏苏州215009

出　　处：《中国当代医药》2024年第9期16-20,共5页China Modern Medicine

基　　金：江苏省苏州市科技发展计划项目(SKJYD2019217)。

摘　　要：目的通过分子对接技术和网络药理学来探索三黄洗剂对治疗湿疹的潜在分子机制和作用靶点。方法通过查询中药系统药理数据库和分析平台(TCMSP)数据库得到三黄洗剂中的成分及其相应作用靶点;湿疹治疗的作用靶点信息从PubMed、GeneCards及DisGeNET三个数据库中检索;Cytoscape3.8.0平台构建"药物/化合物/作用靶点/疾病"的网络连接图;利用Autodock Vina进行分子对接。结果从三黄洗剂中获得85个化合物,相关靶点蛋白241个,筛选出湿疹相关靶点3057个,得到三黄洗剂中57个活性成分能对湿疹有治疗作用且潜在靶点有117个。分子对接表明主要靶标蛋白与活性成分的结合性较好。结论本研究从网络药理学的角度对三黄洗剂治疗湿疹的作用机理进行预测,表明三黄洗剂治疗湿疹具有多成分、多靶点、多途径的特点,为三黄洗剂的基础研究和临床应用提供数据参考,以治疗湿疹等皮肤疾病。Objective To explore the potential molecular mechanism and predict targets of Sanhuang Lotion for against eczema through molecular docking technology and network pharmacology.Methods The active compounds and potential targets of Sanhuang Lotion were gathered from the Traditional Chinese Medicine Systems Pharmacology Database and Anal-ysis Platform(TCMSP),while the relevant targets for eczema were obtained from databases such as PubMed,GeneCards,and DisGeNET.Cytoscape 3.8.0 sofware was used to create a network diagram representing the relationship between drugs,compounds,targets,and disease.Autodock Vina was used for molecular docking.Results A total of 85 active compounds and 241 related target proteins were obtained from Sanhuang Lotion,3057 eczema-related targets were screened.The total of 57 active ingredients in Sanhuang Lotion were identified,along with 117 potential targets,for treating eczema.Molecular docking results showed that the binding energy,which indicated that the target proteins had a great affinity with the main functional components.Conclusion From the perspective of network pharmacology,this study predicted the mechanisms of action of Sanhuang Lotion in treating eczema,indicating that Sanhuang Lotion in treating eczema had the characteristics of multiple ingredients,multiple targets and multiple pathways,which providing reference for basic research and clinical ap-plication in the treatment of skin diseases such as eczema.

关 键 词：三黄洗剂 湿疹 网络药理学 分子对接 作用机制 

分 类 号：R758.23[医药卫生—皮肤病学与性病学]