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. 2021 Sep 30;102(3):257–275. doi: 10.5114/bta.2021.108722

Table 6.

LibDock scores of 1,2,4-trioxane derivatives CC3 and CC7 against cathepsin K and cathepsin L

Compounds code LibDock score Number of H-bonds
3OVZ 3OF9 3OVZ 3OF9
CC3 140.913 120.04 2 2
CC7 137.396 130.701 2 3
Co-crystal inhibitor 134.625 152.045 6 5

3OVZ – cathepsin K (co-crystal inhibitor: O96);

3OF9 – cathepsin L (co-crystal inhibitor: I0X)