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. 2017 Apr 7;11:32. doi: 10.1186/s13065-017-0258-4

Table 4.

Docking scores and amino acid interactions of the docked compounds on the active site of mitogen activated kinase (MK-2)

Compounds (S) Kcal/mol Amino acid Interacting group Type of interaction H-bond length (Å)
3c −18.8805 Asp 207 NH H bond (donor) 1.25
4a −20.8063 Leu 141
Asp 207
SO2
NH
H bond (acceptor)
H bond (donor)
2.96
2.22
4b −16.2293 Asp 207 NH H bond (donor) 2.12
4c −22.9000 Asp 207 NH H bond (donor) 1.53