Computational insights for target prioritization and pesticide effects on intrauterine growth restriction (IUGR)

Intrauterine growth restriction (IUGR) is a leading cause of maternal and neonatal morbidity and mortality, particularly in low- and middle-income countries. Placental transcriptomics data were analysed to mapped dysregulated pathways via STRING-based PPI networks, identifying hubs and validating pesticide targets by molecular simulations. Rank-based prioritization identified IL7R, LCK and ZAP70 as top hub proteins driving placental dysfunction with cypermethrin exhibiting the lowest binding affinities across them (docking scores: -7.7, -8.7, -9.3 kcal/mol, respectively). Molecular dynamics simulations confirmed the stability of these docked complexes, while toxicity profiling indicated genotoxic potential for permethrin and high aquatic toxicity for deltamethrin. Thus, we show the critical molecular mediators linking pyrethroid exposure to IUGR, suggesting further experimental validation to support maternal health risk assessment.