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. 2021 Oct 18;7(10):e08199. doi: 10.1016/j.heliyon.2021.e08199

Table 5.

Docking results of curculigine, isocurculigine, nyasicoside, and standard ascorbic acid with urate oxidase (PDB ID: 1R4U), glutathione reductase (PDB ID: 3GRS) for antioxidant activity.

Compound name Docking score
Glide e-model
Glide energy
1R4U 3GRS 1R4U 3GRS 1R4U 3GRS
Curculigine -5.248 -9.460 -61.973 -107.864 -49.266 -73.296
Isocurculigine -5.407 -9.515 -71.319 -110.112 -57.260 -72.314
Nyasicoside -4.239 -8.498 -53.703 -106.471 -45.007 -71.337
Ascorbic acid -4.944 -7.756 -37.968 -65.904 -26.410 -43.207