Molecular docking analysis and unravelling cyto-genotoxicity of ethyl carbamate on onion root tips by Allium cepa and comet assays

Ethyl carbamate (EC) is a widely occurring food contaminant with established genotoxic and carcinogenic properties, yet its integrated cyto-genotoxic profile in plant models remains comparatively underexplored. This study evaluated EC-induced cyto-genotoxicity in Allium cepa using complementary root-growth, cytological, chromosomal aberrations, and DNA-damage endpoints, together with molecular docking. Root-growth inhibition was assessed after 96 h across 0.5–10 mg/mL EC to estimate the EC₅₀, followed by exposure to 0.5, 1, and 2 mg/mL (½×EC₅₀, EC₅₀, and 2×EC₅₀ respectively) for 24, 48, and 72 h. EC produced concentration-dependent root-growth inhibition, yielding an EC₅₀ of 1.003 mg/mL with an excellent four-parameter logistic model fit (R² = 0.9951). EC exposure significantly reduced mitotic index, altered mitotic-phase distribution, increased disturbed anaphase-telophase, polyploidy, and chromosomal stickiness, and increased DNA damage. Two-way ANOVA demonstrated significant effects of treatment, exposure time, and their interaction for mitotic, chromosomal, and comet-assay endpoints ( p < 0.001). At 72 h, DNA damage increased from 72.67 ± 0.58 AU at 0.5 mg/mL to 127.00 ± 1.00 AU at 2 mg/mL. Molecular docking, validated by ellipticine redocking (RMSD = 0.5463 Å), predicted a weaker interaction of EC with the 1Z3F DNA structure (Glide score − 2.6 kcal/mol) than ellagic acid (− 10.3 kcal/mol) and luteolin (− 9.7 kcal/mol). In conclusion, EC produced concentration- and time-dependent cyto-genotoxic responses in A. cepa , while docking revealed distinct predicted DNA-interaction profiles and provides hypotheses for further mechanistic investigation.