Fig. 9

Molecular docking analysis. A Heatmap of vina scores representing the binding affinities of benzo(a)pyrene with proteins encoded by the feature genes. B Molecular surface representation of the CDK1 protein, showing the overall structure and the docking region for benzo(a)pyrene. C Magnified view of the binding interaction between benzo(a)pyrene and the CDK1 protein, highlighting the binding pocket and key interacting residues