Copyright
©The Author(s) 2023.
World J Clin Cases. Nov 6, 2023; 11(31): 7593-7609
Published online Nov 6, 2023. doi: 10.12998/wjcc.v11.i31.7593
Published online Nov 6, 2023. doi: 10.12998/wjcc.v11.i31.7593
Table 5 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 |
- Citation: Yang Q, Li LY. Network pharmacological and molecular docking study of the effect of Liu-Wei-Bu-Qi capsule on lung cancer. World J Clin Cases 2023; 11(31): 7593-7609
- URL: https://www.wjgnet.com/2307-8960/full/v11/i31/7593.htm
- DOI: https://dx.doi.org/10.12998/wjcc.v11.i31.7593