Table 4.
Molecular docking results of major active components of ZBSO and indomethacin with related targets of TLR4/MyD88/NF-κB pathway.
Ligands | Binding energy (kJ/mol−1) | ||
---|---|---|---|
TLR4 | MyD88 | P65 | |
α-Linolenic acid | −22.468 | −14.309 | −18.702 |
Quercetin | −27.447 | −17.824 | −26.903 |
Isoimperatorin | −26.317 | −26.652 | −25.313 |
Ent-epicatechin | −25.732 | −19.372 | −25.899 |
Beta-sitosterol | −16.903 | −17.573 | −23.389 |
Andrographolide | −27.747 | −25.313 | −25.230 |
Indomethacin | −25.713 | −24.054 | −28.451 |