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. 2021 Jul 5;10(7):1081. doi: 10.3390/antiox10071081

Table 1.

Molecular docking parameters and protein targets.

Protein PDB ID Grid Box Center Coordinates Grid Box Size Conformers Generated per Ligand
Lipoxygenase 1N8Q center_x = 22.4550 size_x = 12.4283 8
center_y = 1.2929 size_y = 10.6802
center_z = 20.3621 size_z = 12.1421
CYP2C9 1OG5 center_x = −19.8236 size_x = 12.3877 8
center_y = 86.6869 size_y = 11.6533
center_z = 38.2757 size_z = 11.6542
NADPH-oxidase 2CDU center_x = 18.9974 size_x = 14.0073 8
center_y = −5.7774 size_y = 14.9976
center_z = −1.8087 size_z = 18.7956
Xanthine oxidase 3NRZ center_x = 37.4800 size_x = 7.3289 8
center_y = 19.3054 size_y = 10.3411
center_z = 18.1518 size_z = 9.1241