ACTA NEUROPHARMACOLOGICA ›› 2024, Vol. 14 ›› Issue (1): 1-.DOI: 10.3969/j.issn.2095-1396.2024.01.001

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Mechanism of Action of Commelina communis L. in the Treatment of Febrile Seizures Based on Network Pharmacology and Molecular Docking Technology

ZHAO Dong-li,LI Zi-rou,YAN Jia-hao,WU Wei,CUI Xiao-yan, YU Yong-zhou   

  1. 1. Chengde Medical College, Chengde, 067000, China 

    2. Hebei Institute for Drug and Medical Device Control, Shijiazhuang, 050000, China 

    3. Hebei Key Laboratory of Nerve Injury and Repair, Chengde, 067000, China

  • Online:2024-02-26 Published:2024-05-24
  • Contact: 于永洲,博士,副主任药师;研究方向:神经药理;E-mail: 541454096@qq.com
  • About author:赵栋礼,本科,口腔医学;E-mail:1429767362@qq.com

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, multitarget, and multi-pathway. It provides new ideas for the research and development of Commelina communis L. and treatment options for hyperthermic seizures.

Key words: Commelina communis L., febrile seizures, network pharmacology, molecular docking technology