Copyright: ©Author(s) 2026.
World J Gastroenterol. Nov 21, 2026; 32(43): 121477
Published online Nov 21, 2026. doi: 10.3748/wjg.121477
Published online Nov 21, 2026. doi: 10.3748/wjg.121477
Table 1 Molecular docking binding energy data
| UniProt accession | Target protein | PDB ID | Ligand | Binding energy (kcal/mol) | Grid center (x, y, z) | Grid size (x, y, z) |
| P69996 | UreB | 1E9Y | Deoxyshikonin | -6.1 | 127.68, 126.29, 87.37 | 20, 20, 20 |
| P14916 | UreA | 1E9Z | Deoxyshikonin | -4.9 | 146.94, 115.36, 52.21 | 20, 20, 20 |
- Citation: Pang GF, Xu JY, Guan AX, Yang SX, Duangsonk K, Huang YQ, Zhou QH, Zhou WT. Study on the adhesive effect of deoxyshikonin on Helicobacter pylori. World J Gastroenterol 2026; 32(43): 121477
- URL: https://www.wjgnet.com/1007-9327/full/v32/i43/121477.htm
- DOI: https://dx.doi.org/10.3748/wjg.121477