Integrated in vivo and in silico assessment of fipronil-induced genotoxicity in Allium cepa

Fipronil (FIP) is a widely used phenylpyrazole insecticide that can leach into the environment and pose risks to non-target organisms. Understanding its potential genotoxic effects in plants is important for environmental risk assessment. In this study, the genotoxic effects of FIP were investigated using a combined in vivo and in silico approach. Allium cepa was used as the model organism and exposed to FIP at concentrations of 10, 20, and 40 mg/L. Cytogenetic analyses, agarose gel electrophoresis, molecular docking, and molecular dynamics simulations were performed to evaluate physiological, genetic, and molecular-level effects. The findings demonstrated that FIP exposure significantly reduced root growth and weight gain in a dose-dependent manner, decreased the mitotic index, and markedly increased micronucleus formation and chromosomal abnormalities. DNA degradation patterns consistent with genotoxic damage were observed by agarose gel electrophoresis, indicated by reduced band intensity and increased DNA smearing. In silico analyses suggested that FIP may interact with DNA through hydrogen bonding and halogen interactions, potentially leading to local conformational alterations in DNA structure, while its interaction with tubulin proteins may contribute to disruptions in chromosome segregation. Molecular dynamics simulations further supported the stability of the FIP–DNA interaction over time and suggested possible structural perturbations in the DNA molecule. In conclusion, FIP was determined to exert dose-dependent genotoxic effects in plants, and the combined findings suggest that both direct DNA interactions and interference with cellular division mechanisms may contribute to its toxicity.