Table 3.
The binding energy of the compounds and core targets (kcal/mol).
| Target | Target (PDB ID) | Target structure | Compound | Affinity (kcal/mol) |
|---|---|---|---|---|
| ALB | 1N5U |
|
Quercetin | −8.1 |
| Kaempferol | −7.0 | |||
| Licochalcone A | −8.0 | |||
| Naringenin | −8.5 | |||
| 6,7-Dimethoxy-2-(2-phenylethyl) chromone | −9.6 | |||
| AKT1 | 1H10 |
|
Quercetin | −6.1 |
| Kaempferol | −6.0 | |||
| Licochalcone A | −6.3 | |||
| Naringenin | −6.1 | |||
| 6,7-Dimethoxy-2-(2-phenylethyl) chromone | −6.2 | |||
| INS | 1HTV |
|
Quercetin | −7.9 |
| Kaempferol | −5.8 | |||
| Licochalcone A | −6.6 | |||
| Naringenin | −7.8 | |||
| 6,7-Dimethoxy-2-(2-phenylethyl) chromone | −8.6 | |||
| TNF | 1TNF |
|
Quercetin | −6.3 |
| Kaempferol | −6.4 | |||
| Licochalcone A | −5.5 | |||
| Naringenin | −6.8 | |||
| 6,7-Dimethoxy-2-(2-phenylethyl) chromone | −5.4 | |||
| IL6 | 7NXZ |
|
Quercetin | −6.4 |
| Kaempferol | −6.8 | |||
| Licochalcone A | −5.2 | |||
| Naringenin | −5.3 | |||
| 6,7-Dimethoxy-2-(2-phenylethyl) chromone | −5.4 |