Table 5.
The molecular docking score of the selected compounds against the TLR-4, JNK, NF-κB, and AP-1 proteins.
| Sample | TLR-4 (4g8e) Energy (kcal/mol) |
JNK (30xi) Energy (kcal/mol) |
P65 (1le5) Energy (kcal/mol) |
AP-1 (4hmy) Energy (kcal/mol) |
|---|---|---|---|---|
| Anomalin | −7.0 | −7.0 | −6.6 | −7.0 |
| Alantalactone | −6.2 | −7.1 | −7.1 | −8.7 |
| Baicalein | −7.7 | −8.1 | −8.0 | −8.6 |
| Berberin | −7.6 | −8.2 | −6.9 | −8.1 |
| Bergenin | −7.5 | −7.5 | −6.7 | −6.9 |
| Catechin | −7.5 | −7.3 | −7.3 | −7.9 |
| Continentalic acid | −7.3 | −6.8 | −6.9 | −7.5 |
| Coumarin | −6.2 | −6.9 | −6.3 | −7.9 |
| Epi-catechin | −7.9 | −7.6 | −7.6 | −8.6 |
| Ferulic acid | −5.9 | −6.2 | −5.7 | −6.9 |
| Gallic acid | −6.0 | −5.6 | −6.0 | −6.1 |
| Honokiol | −6.7 | −7.2 | −7.1 | −7.8 |
| Icariin | −9.1 | −9.4 | −7.0 | −9.1 |
| Linoleic acid | −4.7 | −5.9 | −4.9 | −5.9 |
| Magnolol | −6.9 | −7.5 | −6.9 | −8.9 |
| Matrine | −6.1 | −6.8 | −7.1 | −6.6 |
| P-coumaric acid | −5.8 | −6.1 | −5.2 | −6.6 |
| Pimelic acid | −4.5 | −4.6 | −5.3 | −5.4 |
| Poncirin | −10.1 | −9.5 | −9.4 | −8.0 |
| Quercetin | −8.0 | −7.8 | −7.3 | −8.0 |
| Rutin | −10.4 | −9.1 | −7.8 | −8.6 |
| Vanillic acid | −6.1 | −5.6 | −5.2 | −6.2 |