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. 2023 Oct 20;24(20):15391. doi: 10.3390/ijms242015391

Table 3.

Docking and Prime MMGBSA results for the interactions of Que with the analyzed enzymes. The results are all expressed in kcal/mol.

Enzyme Glide Gscore MMGBSA dG Bind
NOX −5.35 −4.82
XO −8.87 −22.18
MPO −4.91 −28.81
5-LOX −5.94 −37.42
MAO-A −8.14 5.72