Copyright
©The Author(s) 2024.
World J Gastrointest Oncol. Aug 15, 2024; 16(8): 3539-3558
Published online Aug 15, 2024. doi: 10.4251/wjgo.v16.i8.3539
Published online Aug 15, 2024. doi: 10.4251/wjgo.v16.i8.3539
Table 6 Binding energy of the molecular docking
| Target | PDB ID | Ingredient | Binding energy (kcal/mol) | Hydrogen bond number | Action of amino acid residues |
| AKT1 | 6HHG | Acacetin | -9.2 | 1 | THR-211 |
| AKT1 | 6HHG | Bolusanthol B | -10.2 | 2 | ASP-274/THR-81 |
| AKT1 | 6HHG | Luteolin | -9.5 | 3 | THR-211/TYR-272/GLN-79 |
| AKT1 | 6HHG | Quercetin | -9.1 | 3 | THR-211/TYR-272/GLN-79 |
- Citation: Wang CL, Yang BW, Wang XY, Chen X, Li WD, Zhai HY, Wu Y, Cui MY, Wu JH, Meng QH, Zhang N. Targeting colorectal cancer with Herba Patriniae and Coix seed: Network pharmacology, molecular docking, and in vitro validation. World J Gastrointest Oncol 2024; 16(8): 3539-3558
- URL: https://www.wjgnet.com/1948-5204/full/v16/i8/3539.htm
- DOI: https://dx.doi.org/10.4251/wjgo.v16.i8.3539