Table 2 Molecular docking binding energies.
Gene name | PDB | Vina score | Hydrogen bonding interactions |
|---|---|---|---|
AKT1 | 1UNQ | − 5.6 | Asn31(A), Thr105(A) |
CASP3 | 2DKO | − 5.9 | Thr140(A), Lys137(A) |
EGFR | 8A27 | − 6.1 | Leu730(A), Thr710(A), Pro733(A), Gly735(A) |
HIF1A | 4H6J | − 5.6 | Lys297(A) |
MMP9 | 6ESM | − 6.4 | Arg143(A), Ser219(A), Leu212(A), Glu252(A) |
