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Table 1 Targets protein binding coordinates

From: Probing the multitargeting potential of n-hexane fraction of Gongronema latifolium leaves in neurodegeneration via in vitro, GC–MS and in silico studies

Dimensions

Aβ fibrils (Å)

BACE-1 (Å)

hAChE (Å)

bAChE (Å)

Center_x

0.55

67.91

− 13.48

2.54

Center_y

0.02

48.43

− 43.40

− 9.30

Center_z

− 8.25

9.57

27.61

− 14.86

Size x

52.76

16.72

24.78

18.53

Size y

22.91

16.24

16.73

21.94

Size z

32.81

19.95

19.87

17.05

  1. Blind docking of the ligands was performed against Aβ fibrils, while targeted docking was performed against BACE-1, hAChE and hBChE