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. 2016 Apr 7;10:19. doi: 10.1186/s13065-016-0161-4

Table 2.

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

Compound no. S Kcal mol−1 Amino acid interactions Interacting groups Type of interaction H bond length Å
3 −15.4739 Leu 141 NH2 H-bond (donor) 1.41
SO2 H-bond (acceptor) 2.96
Asp 207 NH H-bond (donor) 2.16
6 −13.1926 Lys 188 SO2 H-bond (acceptor) 2.58
8 −17.6042 Lys 188 SO2 H-bond (acceptor) 2.56
9 −10.2371 Asp 207 NH2 H-bond (donor) 1.70
10 −18.9455 Glu 145 NH H-bond (donor) 1.49
NH H-bond (donor) 1.85
Lys 188 SO2 H-bond (acceptor) 3.02
15 −13.5639 Lys 188 SO2 H-bond (acceptor) 2.33
Asp 207 NH H-bond (donor) 2.22
16 −20.1443 Lys 188 SO2 H-bond (acceptor) 2.61