Mechanism of Bupleurum and Asarum in Traumatic Brain Injury Treatment Based on Network Pharmacology and Molecular Docking Technology

摘要

[Objectives]To explore the active components and mechanism of Bupleurum and Asarum in the treatment of traumatic brain injury(TBI).[Methods]All the active components and potential action targets of Bupleurum and Asarum pairs were collected by online platform Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)database and literature search.Target genes related to traumatic brain injury were obtained by Online Mendelian Inheritance in Man(OMMI),Therapeutic Target Database(TTD),PharmGKB,Genecards and Drugbank.The"drug-ingredient-target"network diagram was constructed by using Cytoscape software.Venny 2.1.0 was used to integrate the intersection targets of drug targets and disease targets,and the String platform was used to construct a target protein-protein interaction network(PPI).Topological analysis and core target screening of the constructed PPI network were performed using the"CytoNCA"plug-in in Cytoscape software.Gene Ontology(GO)annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed on the intersection targets using the DAVID database.Finally,Autodock and Pymol software were used to simulate the binding activity of key candidate active components and core genes.[Results]25 active components were screened from Bupleurum-Asarum and 111 potential targets involved in the disease process.GO analysis and KEGG results showed that potential therapeutic targets were mainly enriched in biological processes such as inflammatory response,oxidative stress,cell membrane repair,and cytokine regulation.Network analysis and molecular docking showed that the key compounds of Bupleurum and Asarum were kaempferol and quercetin,which were well docked with the active pockets of four core genes of traumatic brain injury.[Conclusions]Bupleurum and Asarum may be involved in the regulation of inflammatory response,oxidative stress,cell membrane repair through multiple targets and multiple pathways in the treatment of traumatic brain injury.