Exploring the toxic mechanism of cypermethrin-induced neurodegeneration diseases via network toxicology and molecular docking.

Cypermethrin, a type II synthetic pyrethroid insecticide, is a pervasive environmental contaminant of growing concern owing to its ecological persistence and potential health risks. This study combined network toxicology and molecular docking to investigate the role of cypermethrin in neurodegenerative diseases. Potential targets of cypermethrin were predicted using the Similarity Ensemble Approach, SwissTargetPrediction, PharmMapper, and Comparative Toxicogenomics Database. Disease-related targets were sourced from GeneCards, the Therapeutic Target Database, and Online Mendelian Inheritance in Man. In total, 108 overlapping targets were identified. The core targets were prioritized using STRING 12.0 and Cytoscape (Version: 3.10.0), followed by functional enrichment analysis. The results indicated the significant involvement of cancer-related pathways, endocrine resistance, and PI3K-AKT signaling. Molecular docking and molecular dynamics simulations confirmed the strong affinity of cypermethrin for CREBBP, GSK3B, and ALB. These findings provide a foundation for the development of diagnostic tools for diseases linked to cypermethrin exposure, although further experimental and clinical validation is necessary.