基于网络药理学与分子对接探究蚕茸柱天胶囊治疗阳痿(勃起功能障碍)的作用机制
Therapeutical mechanism explore of Canrongzhutian Capsule for erectile dysfunction based on network pharmacology and molecular docking
陈圣强 1梁国辉 1苏帝嘉 1李炜 2郝建新 3张洪坤 4张永萍 5王利胜1
作者信息
- 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 628017)
- 5. 贵州中医药大学(贵州贵阳 550025)
- 折叠
摘要
目的 通过网络药理学以及分子对接技术对蚕茸柱天胶囊治疗阳痿(erectile dysfunction,ED)的作用机制进行研究.方法 通过TCMSP收集蚕茸柱天胶囊中的活性成分及相应靶点蛋白,在GeneCards中检索ED的相关疾病靶点.通过Venny 2.1将活性成分及疾病靶点取交集.通过Cytoscape 3.9.1建立交集靶点-活性成分蛋白互作网络.应用Metascape对交集靶点进行KEGG富集处理及GO分析.最终采用Pymol和Autodocktool进行分子对接,以验证网络药理学结果.结果 在TCMSP中收集了 11种中药成分及相应靶点蛋白.通过GeneCards检索到1 973个疾病靶点,通过Venny2.1获得交集靶点161个.通过Cytoscape 3.9.1建立PPI网络.分子对接结果表明活性成分与疾病靶点间有良好的结合能力,说明网络药理学结果具有一定可靠性.结论 蚕茸柱天胶囊中多种活性成分可通过多途径、多靶点对ED发挥治疗作用.
Abstract
Objective To study the therapeutic characteristics of Canrongzhutian Capsule on erectile dysfunction(ED)through network pharmacology and molecular docking technology.Methods The chemical constituents and corresponding target proteins in the Canrongzhutian Capsule were collected by TCMSP.Search ED disease targets of ED in GeneCards.Venny 2.1 was used to intersect the active ingredients and disease targets.The interaction network of intersecting target-active ingredient protein was constructed by Cytoscape 3.9.1.Metascape was used to analyze the intersection targets and enrich them with KEGG.Finally,Pymol and Autodock tool were used for molecular docking to verify the previous results of network pharmacology.Results Eleven kinds of traditional Chinese medicine components and their corresponding target proteins were collected in TCMSP.A total of 1 973 disease targets were retrieved by GeneCards,and 161 intersecting targets were obtained by Venny 2.1.The PPI network of active ingredient-intersection target was established by Cytoscape 3.9.1.The results of molecular docking show that the active ingredients have good binding ability with disease targets,which shows that the results of network pharmacology are reliable.Conclusion The results show that various active components in the natural capsule of Canrongzhutian can play a therapeutic role on ED through multiple channels and targets.
关键词
蚕茸柱天胶囊/早泄/网络药理学/分子对接模拟Key words
Canrongzhutian Capsule/impotence/network pharmacology/molecular docking simulation引用本文复制引用
基金项目
广州市科技计划项目(202206010188)
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)
出版年
2024
NETL
NSTL
万方数据