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. 2018 Sep 12;23(9):2328. doi: 10.3390/molecules23092328

Table 1.

Binding Energy of trans-4-hydroxystilbene (THS), resveratrol (RES), and piceatannol (PIC) and Akt protein docking systems.

Stilbenoids Binding Energy (Kcal/mol) Ki (μM) Final Intermolecular Energy (Kcal/mol) VDW + H Bond + Desolvation Energy (Kcal/mol) H Bonds
trans-4-hydroxystilbene −6.31 ± 0.33 23.78 −7.2 −7.1 THS:O1H1-GLU432:O
ASN231:ND2-THS:O1
resveratrol −6.69 ± 0.68 12.54 −8.18 −7.82 RES:O1-LEU213:O
RES:O2-TYR229:O
LYS284:NZ-RES:O2
TYR175:HN-RES:O3
piceatannol −6.73 ± 0.51 11.75 −8.52 −8.28 PIC:HAD-ILE447:O
PIC:H1-ILE447:O
PIC:H2-PRO451:O
PIC:H3-PHE150:O
PIC:H3-MET147:O