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. 2022 Nov 18;101(46):e31787. doi: 10.1097/MD.0000000000031787

Table 4.

The docking results for each target with compound (kcal/mol).

Compounds Structure Target ID PDB ID Docking Score/kcal/mol Combination Type
NR C15H12O5 CASP3 1NMS –7.59 Hydrogen bonds,
Hydrophobic interactive,
π-stacking
AKT1 4GV1 –7.54
ESR1 3ERT –7.48
ACTB 6NBW –7.18
MAPK3 5W62 –7.16
MAPK1 6SLG –6.87
SRC 6ATE –6.31
CAT 1DGF –5.63

NR = Naringenin, PDB = Protein Data Bank.