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. 2022 Nov 3;27(21):7540. doi: 10.3390/molecules27217540

Table 8.

The parameters of the HL-COX2 interaction.

Ligand Ligand Sites Receptor Sites Interaction Type Distance
(Å)
Energy of Binding
(kcal/mol)
The Energy of Total Free Binding
(kcal/mol)
graphic file with name molecules-27-07540-i007.jpg O(1) HIS 388 H-
donor
2.87 −1 −7.52
C(12) HIS 386 H-pi 4.34 −0.8