Table 1.
Results of molecular docking.
| Key targets | Compounds | Binding energy (kcal/mol) | Key targets | Compounds | Binding energy (kcal/mol) |
|---|---|---|---|---|---|
| PPARG | Ursolic acid | −9.4 | AKT1 | Bavachalcone | −6.4 |
| Oleanolic acid | −8.6 | Isobavachalcone | −6.4 | ||
| Bavachinin | −8.6 | Luteolin | −6.3 | ||
| Isobavachin | −7.7 | Kaempferol | −6.1 | ||
| Bavachin | −7.7 | Quercetin | −6.1 | ||
| Linoleic acid | −6.3 | Alternariol | −6.1 | ||
| Oleic acid | −5.7 | Kaempferide | −5.9 | ||
| Stearic acid | −5.6 | 3-Hydroxybakuchiol | −5.5 | ||
| Linolenate | −0.7 | Bakuchiol | −5.4 | ||
| SRC | Quercetin | −8.5 | IL6 | β-Ecdysterone | −7.6 |
| Alternariol | −8.2 | Linolenate | −4.5 | ||
| Luteolin | −8.1 | Linoleic acid | −4.4 | ||
| Kaempferol | −8.0 | TNF | Astragalin | −8.4 | |
| Kaempferide | −7.4 | β-Ecdysterone | −7.6 | ||
| Isobavachin | −7.1 | STAT3 | Dehydrocorydaline | −6.7 | |
| Allocryptopine | −6.8 | Palmatine | −6.7 | ||
| Albiflorin | −6.4 | ||||
| Tetrahydropalmatine | −6.1 |
AKT1 = threonine-protein kinase, IL-6 = interleukin-6, PPARG = peroxisome proliferator-activated receptor gamma, SRC = tyrosine-protein kinase, STAT3 = signal transducer and activator of transcription 3, TNF = tumor necrosis factor alpha.