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Basic Study
Copyright: ©Author(s) 2026.
World J Gastroenterol. Nov 21, 2026; 32(43): 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)
P69996UreB1E9YDeoxyshikonin-6.1127.68, 126.29, 87.3720, 20, 20
P14916UreA1E9ZDeoxyshikonin-4.9146.94, 115.36, 52.2120, 20, 20


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