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Table 2 List of amino acids involved in hydrogen bonding and hydrophobic interactions with CHP4 and donepezil with AChE

From: Synthesis, in vitro biological evaluation and molecular modelling of new 2-chloro-3-hydrazinopyrazine derivatives as potent acetylcholinesterase inhibitors‏ on PC12 cells

Compounds

UCSF Chimera

LigPlot+

 

H-bonds

HI

H-bonds

HI

CHP4

S124b

Chain b:

W84, Y121, D72, S122,

*F331, *Y334, *F330, N85

Y121b

Chain b:

W84, Y121, D72, S122, *F331, *Y334, *F330, N85

DPZ

S228b, S205b

Chain b:

F288, A234, W233, *F331, C231, S288,A204, P229, F290, N230, F120, M208, S200, I287, *F330, N399, S235, V395, L332, *Y334, V400

_

Chain b:

F288, A234, *F331, C231, S288,A204, P229, F290, N230, F120, M208, *F330, N399, S235, V395, L332, *Y334, V400

  1. HI: Hydrophobic Interactions *Common residue