基于网络药理学与分子对接探究蚕茸柱天胶囊治疗早泄的作用机制  

Mechanism exploring of Silkworm Antler Jutian capsule in treating premature ejaculation based on network pharmacology and molecular docking

作　　者：梁国辉 陈圣强 苏帝嘉 李炜 郝建新 张洪坤 张永萍 王利胜[1] Liang Guohui;Chen Shengqiang;Su Dijia;Li Wei;Hao Jianxin;Zhang Hongkun;Zhang Yongping;Wang Lisheng(College of Traditional Chinese Medicine,Guangzhou University of Traditional Chinese Medicine,Guangzhou 510006,Guangdong,China;Guangyuan Food and Drug Inspection and Testing Center,Guangyuan 628017,Sichuan,China;Guangzhou Heyi Medical Treatment Technology Co.,Ltd.,Guangzhou 510970,China;Sichuan Haoyun Pharmaceutical Co.,Ltd.,Guangyuan 628017,Sichuan,China;Guizhou University of Traditional Chinese Medicine,Guiyang 550025,Guizhou,China)

机构地区：[1]广州中医药大学中药学院,广东广州510006 [2]广元市食品药品检验检测中心,四川广元628017 [3]广州市和一医疗科技有限公司,广东广州510970 [4]四川豪运药业股份有限公司,四川广元6280175 [5]贵州中医药大学,贵州贵阳550025

出　　处：《中国男科学杂志》2024年第6期71-80,共10页Chinese Journal of Andrology

基　　金：广元市科技计划项目(22MZGC0005);四川省科技创新人才项目(23CXRC0019);广元市科技成果转化项目(23CGZH0007);广州市科技计划项目(202206010188)。

摘　　要：目的运用网络药理学、分子对接技术将蚕茸柱天胶囊对早泄发挥的药效作用特点进行研究。方法在TCMSP、BATMAN-TCM数据库检索蚕茸柱天胶囊活性成分,在GeneCards、Disgenet数据库检索早泄靶点,绘制活性成分与早泄的交集靶点Vene图,在Cytoscape构建活性成分交集靶点互作网络。在STRING构建交集靶点的PPI互作网络并用Metascape对靶点进行GO功能富集、京都基因与KEGG富集分析。在CB-DOCK2进行分子对接。结果收集到178种活性成分,1597个作用靶点,1296个早泄靶点,440个交集靶点。蚕茸柱天胶囊可能通过蚕蛾激素、淫羊藿苷、山茱萸新苷、金丝桃苷等成分,作用于TP53、AKT1、STAT3等潜在靶点发挥治疗作用;分子对接显示活性成分与早泄潜在靶点结合良好,说明网络药理学结果可靠。结论蚕茸柱天胶囊的多种活性成分可通过多途径、多靶点对早泄发挥药效作用。Objective To characterize the related mechanism of Silkworm Antler Jutian capsule in treating premature ejaculation by network pharmacology and molecular docking.Methods The active ingredients of Silkworm Antler Jutian capsule were obtained using TCMSP and Batman-TCM,and the targets of premature ejaculation were retrieved using GeneCards and Disgenet.The intersection target Vene diagram of active ingredients and premature ejaculation was plotted,and the interaction network between active ingredients and intersection targets was constructed using Cytoscape.The PPI interaction network of intersecting targets was constructed in STRING and the target was enriched with GO function,Kyoto gene and KEGG by Metascape.Molecular docking at CB-DOCK2.Results Total of 178 active ingredients,1597 action targets,1296 premature ejaculation targets and 440 intersection targets were found.Silkworm Antler Jutian capsule may exert therapeutic effects on TP53,AKT1,STAT3 and other potential targets through silkworm hormone,icariin,cornuside,hyperoside.Molecular docking showed that the active ingredients were well bound to potential targets of premature ejaculation,indicating that the network pharmacological results were reliable.Conclusion Our results suggest that the various active ingredients of Silkworm Antler Jutian capsule can play a therapeutic role on premature ejaculation through multiple pathways and multiple targets.

关 键 词：蚕茸柱天胶囊 早泄 网络药理学 分子对接模拟 

分 类 号：R698[医药卫生—泌尿科学] R285[医药卫生—外科学]