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Molecular docking for key targets and their related compounds
|
Targets
|
PDB ID
|
Compounds
|
Binding energy (kcal/mol)
|
| TP53 | 4MZR | protocatechuic acid | -42.1348 |
| ALB | 4BKE | Dianthramine | -49.0138 |
| ESR1 | 4ZNH | quercetin | -37.218 |
| kaempferol | -37.1051 | ||
| HSP90AA1 | 3WQ9 | quercetin | -40.1408 |
| kaempferol | -38.241 | ||
| SRC | 1Y57 | quercetin | -37.7868 |
| HIF1A | 1L8C | quercetin | -38.3202 |
| kaempferol | -49.377 | ||
| MAPK3 | 2ZOQ | quercetin | -61.2015 |
| TNF | 2E7A | quercetin | -50.4514 |
| MAPK1 | 1TVO | formononetin | -48.1226 |
