Table 4 Molecular docking score for targeting small molecules
Target | Positive Controls | Binding Energy (kcal/mol) |
|---|---|---|
TLR4 | Stepharine | −2.7 |
NOS2 | S-ethylisothiourea | −3.8 |
TGFB1 | Disitertide | −4.9 |
NFKB1 | Kamebakaurin | −5.7 |
TP53 | J-518147 | −5.9 |
MIF | ISO-1 | −7.7 |
SYK | GSK143 | −8 |
MMP9 | N73 | −8.4 |
PPARG | Rosiglitazone maleate | −8.8 |
XIAP | AT-IAP | −8.9 |
PTGS2 | Diclofenac | −9.1 |
STAT3 | SD36 | −9.1 |
TNF | SPD304 | −9.3 |
CHRNA7 | GTS21 | −6.8 |
PIK3CG | AS-604850 | −9.9 |
IL2 | SP4206 | −11.3 |
MAPK14 | SR-138 | −11.5 |
AKT1 | Akt inhibitor VIII | −14.9 |