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

Table 6.

The Ibuprofen’s interaction parameters with COX2 [PDB code: 5IKT].

Ibuprofen Ligand Sites Receptor Sites Type of the Interaction Bond Distance (Å) Binding Energy
(kcal/mol)		 The Total Free-Binding Energy
(kcal/mol)
graphic file with name molecules-27-07540-i005.jpg O(14) THR 212 H-donor 2.85 −2.9 −5.33