首页|基于网络药理学及分子对接探究黄杞苷治疗银屑病的潜在靶点和机制预测

基于网络药理学及分子对接探究黄杞苷治疗银屑病的潜在靶点和机制预测

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基于网络药理学及分子对接,探究黄酮苷类化合物黄杞苷对治疗银屑病的潜在靶点及作用机制.首先,通过TCMSP等数据库获取药物与疾病潜在靶点;其次,构建黄杞苷-银屑病交集靶点蛋白质互作网络,并获取关键靶点.采用Metascape数据库对交集靶点进行GO功能富集分析和KEGG通路富集分析,最终选取关键靶点与黄杞苷进行分子对接.结果显示,黄杞苷治疗银屑病潜在靶点共66个,涉及炎症反应的调节、对外源性刺激的反应等生物进程,并且可能通过调控PI3K/Akt等多条信号通路发挥治疗作用.分子对接结果显示,黄杞苷与核心靶点结合活性较好,并阐明了黄杞苷通过多靶点、多途径来治疗银屑病,为研发新的治疗银屑病药物提供了理论基础.
Mechanism Prediction and Potential Target Exploration of Engeletin in the Treatment of Psoriasis Based on Network Pharmacology and Molecular Docking
Based on network pharmacology and molecular docking,the potential target and mechanism of engeletin in the treatment of psoriasis were investigated.First,potential targets of drugs and diseases were obtained through databases such as TCMSP.Secondly,a protein interaction network was constructed and key targets were obtained.GO functional enrichment analysis and KEGG pathway enrichment analysis were performed for intersection targets using Metascape database.Finally,the key target was selected for molecular docking with engeletin.The results showed that there were a total of 66 potential targets for the treatment of psoriasis,involving the regulation of inflammatory response,response to exogenous stimuli and other biological processes,and it might play a therapeutic role by regulating several signaling pathways such as PI3K/Akt.Molecular docking results showed that the binding activity of engeletin to the core target was good.It elucidated that engeletin could treat psoriasis by multi-target and multi-pathway,which provided a theoretical basis for developing new drugs for psoriasis.

engeletinpsoriasisnetwork pharmacologymolecular docking

李宇琦、王璇、陈倩、李爽、申雪、牛文琦、郝美晗、宋博翠

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黑龙江八一农垦大学生命科学技术学院,大庆 163319

黄杞苷 银屑病 网络药理学 分子对接

黑龙江省博士后科研基金启动项目

LBH-Q21158

2024

黑龙江八一农垦大学学报
黑龙江八一农垦大学

黑龙江八一农垦大学学报

影响因子:0.888
ISSN:1002-2090
年,卷(期):2024.36(5)