Copyright
©The Author(s) 2024.
World J Gastrointest Oncol. Sep 15, 2024; 16(9): 3932-3954
Published online Sep 15, 2024. doi: 10.4251/wjgo.v16.i9.3932
Published online Sep 15, 2024. doi: 10.4251/wjgo.v16.i9.3932
Table 2 Binding energy results for molecular docking
| Mol ID | Molecule name | Binding affinity (kcal/mol) | |||||
| PTGS2 | MMP9 | MMP2 | IL6 | HMOX1 | CCL2 | ||
| MOL000098 | Quercetin | -3.38 | -7.92 | -3.33 | -4.36 | -4.15 | -5.12 |
| MOL004828 | Glepidotin A | -3.67 | -4.72 | -3.88 | -5.52 | -4.18 | -5.24 |
| MOL004991 | 7-Acetoxy-2-methylisoflavone | -5.52 | -7.89 | -4.66 | -5.59 | -5.54 | -6.06 |
| MOL005000 | Gancaonin G | -4.33 | -6.05 | -3.56 | -3.88 | -4.73 | -5.34 |
| MOL005003 | Licoagrocarpin | -4.54 | -7.22 | -3.98 | -5.72 | -5.56 | -6.65 |
| MOL005020 | Dehydroglyasperins C | -3.62 | -6.12 | -3.27 | -3.76 | -4.69 | -4.97 |
- Citation: Chen GQ, Nan Y, Ning N, Huang SC, Bai YT, Zhou ZY, Qian G, Li WQ, Yuan L. Network pharmacology study and in vitro experimental validation of Xiaojianzhong decoction against gastric cancer. World J Gastrointest Oncol 2024; 16(9): 3932-3954
- URL: https://www.wjgnet.com/1948-5204/full/v16/i9/3932.htm
- DOI: https://dx.doi.org/10.4251/wjgo.v16.i9.3932