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. 2025 May 9;14:102046. doi: 10.1016/j.toxrep.2025.102046

Table 2.

Docking results of CIT and SAH.

Enzyme Ligand Estimated Free Energy of Binding (kcal/mol) RMSD (Å)
DNMT-1 CIT
SAH
−9.10
−8.25
0.878
2.374
DNMT-3a CIT
SAH
−7.34
−6.89
0.631
2.285
DNMT-3b CIT
SAH
−7.71
−8.31
0.821
2.172