首页|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

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

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

Silkworm Antler Jutian capsulepremature ejaculationnetwork pharmacologymolecular docking simulation

梁国辉、陈圣强、苏帝嘉、李炜、郝建新、张洪坤、张永萍、王利胜

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广州中医药大学中药学院,广东 广州510006

广元市食品药品检验检测中心,四川 广元628017

广州市和一医疗科技有限公司,广东 广州510970

四川豪运药业股份有限公司,四川 广元6280175

贵州中医药大学,贵州 贵阳550025

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蚕茸柱天胶囊 早泄 网络药理学 分子对接模拟

2024

中国男科学杂志
上海交通大学医学院,国家人口和计划生育委员会科学技术研究所

中国男科学杂志

CSTPCD
影响因子:0.437
ISSN:1008-0848
年,卷(期):2024.38(6)