神经药理学报2024，Vol.14Issue(1)：1-10,10.DOI:10.3969/j.issn.2095-1396.2024.01.001
基于网络药理学和分子对接技术探究鸭跖草治疗高热惊厥的作用机制
Mechanism of Action of Commelina communis L.in the Treatment of Febrile Seizures Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To explore the mechanism of Commelina communis L.in the treatment of febrile seizures based on network pharmacology and molecular docking technology.Methods:The effective components of Commelina communis L.and their related targets were extracted by searching the Chinese Medicine System Pharmacology(TCMSP)database and BATMAN-TCM database.The disease targets of febrile seizures were searched through GeneCards and OMIM databases.Uniport was used to convert protein and gene symbols,and Darw venn diagram platform was used to obtain venn diagram and intersection genes between drug components and diseases.A PPI network was built through the STRING database.Cytoscape3.9.1 software was used to construct the"traditional Chinese medicine-active ingredients-target"network and"key target-signaling pathway"network.The online analysis platform DAVID v6.8 was used to perform KEGG signaling pathway enrichment analysis and GO enrichment analysis of the key targets.The software R x64 4.0.2 and the drawing package ggplot2 were used to plot the KEGG signal path and GO enrichment analysis diagram.Molecular docking was done using AutoDockTools 1.5.7,Pymol 2.0.1 and Openbable 3.1.1 software.Results:There were 8 main effective components of Commelina communis L.,which correspond to 140 targets,2 210 disease targets and 64 common targets of drug diseases.262 items were obtained by GO enrichment analysis(P<0.05),and 67 signaling pathways were selected by KEGG enrichment analysis(P<0.05).The results of molecular coupling showed that flavonoids,the main component of Commelina communis L.,mainly regulating multiple signaling pathways through 3QXY,1GFW,2K7w and other targets to play a therapeutic role in the treatment of febrile seizures.Our research provided references and basis for the follow-up research.Conclusion:The flavonoids,β-sitosterol and monoacyl ginsenoside Rb2 in Commelina communis L.can stably bind to the target of febrile seizure disease and have stronger binding ability than phenobarbital,which is used for febrile seizures in clinical,and can treat febrile seizures through multi-component,multi-target,and multi-pathway.It provides new ideas for the research and development of Commelina communis L.and treatment options for hyperthermic seizures.关键词
鸭跖草/高热惊厥/网络药理学/分子对接Key words
Commelina communis L./febrile seizures/network pharmacology/molecular docking technology分类
医药卫生引用本文复制引用
赵栋礼,李姿柔,闫佳浩,武薇,崔晓燕,于永洲..基于网络药理学和分子对接技术探究鸭跖草治疗高热惊厥的作用机制[J].神经药理学报,2024,14(1):1-10,10.基金项目
2022年河北省大学生创新创业训练计划项目(No.2022029,No.2022112) （No.2022029,No.2022112）
河北省省级科技计划资助项目(No.216Z2501G,No.H20224060026,No.H2022329001) （No.216Z2501G,No.H20224060026,No.H2022329001）
河北省神经损伤与修复重点实验室开放课题(No.NJKF202103) （No.NJKF202103）
承德医学院高层次人才科研启动基金(No.202106) （No.202106）
