Mechanism exploration of Zanthoxyli Radix in Parkinson's disease treatment via network pharmacology and molecular docking
Year: 2025
Type: article
Abstract: By employing network pharmacology and molecular docking approaches, we aim to investigate the interactions between the bioactive constituents present in Zanthoxylum nitidum and the specific targets within the human body, with the ultimate goal of modulating the pathological mechanisms associated with Parkinson's Disease (PD). Relevant chemical components of Zanthoxylum nitidum were searched in TCSMP, CNKI, and Wanfang databases to obtain effective active components and predicted target genes. The component-gene target network was constructed using Cytoscape 3.7.2 software. Major targets of PD were obtained from the GEO database and compared with core gene targets of Zanthoxylum nitidum using a Venn diagram. Protein-protein interaction (PPI) network analysis was conducted on the intersection targets, and functional enrichment analysis was performed based on Gene Ontology (GO). Kyoto Encyclopedia of Genes and Genomes (KEGG) resources were used for enrichment studies on biological pathways to predict biological processes and pathways. The "drug-target-pathway" network was constructed using Cytoscape 3.7.2 software, and molecular docking was performed on core components and key targets using AutoDock vina software. A total of 38 compounds related to Zanthoxylum nitidum, 672 component targets, and 86 common targets between Zanthoxylum nitidum and PD were obtained. Network analysis revealed that the core active components of Zanthoxylum nitidum for treating PD are ethyl ferulate, dihydrochelerythrine, diosmetin, apigenin, and nitidine chloride. Core targets include AKT1, GAPDH, BCL2, EGFR, STAT3, and CASP3. GO and KEGG analyses showed that the pathways of Zanthoxylum nitidum in treating PD are mainly enriched in PI3K-Akt signaling pathway, Ras signaling pathway, and apoptosis signaling pathway. Its functions mainly include protein tyrosine kinase activity, transmembrane receptor protein kinase activity, and protein phosphatase binding. Molecular docking was performed between the top five key components of Zanthoxylum nitidum and six core genes screened by PPI. The chemical components in Zanthoxylum nitidum act on multiple pathways and targets to exert therapeutic effects on PD.
Author: <p>Shuya Gao<sup>1</sup>, Shunli Liu<sup>1</sup>, Jianjun Huang<sup>2</sup></p>
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4410375144