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Table 1 Grid box centre and dimension for docking of the ligands against target protein

From: Biaryl scaffold-focused virtual screening for anti-aggregatory and neuroprotective effects in Alzheimer’s disease

Protein

Grid box centre

Grid box dimensions

4EY7

X: − 2.91

X:59.75

Y: − 40.11

Y:61.25

Z: 30.86

Z:72.51

2HM1

X: 16.08

X:57.15

Y: − 0.07

Y:68.97

Z: 10.02

Z:48.99

1PBQ

X: 2.535

X:55.36

Y: 39.35

Y:49.88

Z: − 17.65

Z:48.12

2Z5X

X: 34.6965

X:88.4415

Y: 28.131

Y:75.9847

Z: − 20.0943

Z:62.8238

  1. Where: acetylcholinesterase (4EY7), beta-secretase cleavage enzyme (2HM1), monoamine oxidase (2Z5X) and N-methyl-D-aspartate receptor receptor (1PBQ)
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BMC Neuroscience

ISSN: 1471-2202

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