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Investigation of the therapeutic targets of BanXia on astrocytes and neurons in stroke based on transcriptomics and network pharmacology
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DOI：10.1016/j.lddd.2025.100227.png)
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Abstract
En 中文
Background: BanXia (BX) is a traditional Chinese medicinal herb used for thousands of years and belongs to the Araceae family. Stroke is a cerebrovascular disease. BX has been applied clinically to treat stroke, but its precise mechanism remains unclear. Methods: Expression profiles of astrocytes and neurons from healthy and stroke patients were downloaded from the gene expression omnibus (GEO, GSE186798). Differential genes were identified using R packages and limma analysis. BX active compounds were screened through the traditional chinese medicine systems pharmacology database and analysis platform (TCMSP). Simplified molecular input line entry system (SMILES) structures were obtained from PubChem, and potential protein targets were predicted using SwissTargetPrediction. Kyoto encyclopedia of genes and genomes (KEGG) and gene ontology (GO) enrichment analyses were performed using SangerBox. Protein-protein interaction (PPI) networks were analyzed in search tool for the retrieval of interacting genes (STRING) and visualized with Cytoscape (v 3.10.3). Molecular docking was conducted using AutoDock Vina (v 1.2.7), with 3D/2D visualization via PyMOL (v 3.0) and Discovery Studio 4.5. Molecular dynamics simulations were carried out with CABS-flex standalone in Python. Results: BX shared 22 and 11 intersection targets with astrocytes and neurons. KEGG pathways included lipid and atherosclerosis pathway, nucleotide-binding oligomerization domain (NOD)like receptor signaling, and neurodegeneration. GO analysis highlighted postsynaptic membrane potential regulation, neuron homeostasis, and apoptosis. Potential key compounds Baicalin, Coniferin, Cavidine, and 10,13-eicosadienoic acid showed stable binding to Inositol 1,4,5-trisphosphate receptor type 1 (ITPR1), Selectin E (SELE), TANK-binding kinase 1 (TBK1), and Interleukin-6 (IL-6).
Keywords:
BanXia
Astrocytes
Neurons
Stroke
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