Table 2 The binding energies of LrB to different sites in MAPK1, MAP2K2 and MAPK3.

From: Loureirin B downregulates osteoclast differentiation of bone marrow macrophages by targeting the MAPK signaling pathway

Molecule

Site

Energy (kcal/mol)

MAPK1

A.1

− 4.98

A.2

− 5.97

A.3

− 6.37

MAP2K2

B.1

− 4.96

B.2

− 4.80

B.3

− 6.47

MAPK3

C.1

− 4.84

C.2

− 4.83

C.3

− 5.85

  1. The lower the binding energy, the better the binding ability. It represented the sites of LrB and MAPK1, MAP2K2 and MAPK3 were best that the binding energies of A.3, B.3 and C.3 were lowest in each group.
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