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Table 2 Summary of 2D residues diagram analysis for donepezil and vitexin generated by Biovia Discovery Studio Visualizer

From: Insights from molecular docking and molecular dynamics on the potential of vitexin as an antagonist candidate against lipopolysaccharide (LPS) for microglial activation in neuroinflammation

Ligand

Interaction Amino Acid Residue

Bond Distance

(Ã…)

Type of Interacted Bond

Donepezil

Cys25

6.43

Ï€-Alkyl

Ile32

5.56 and 5.86

Ï€ -Alkyl and Alkyl

Ile52

5.03

Alkyl

Val61

6.17

Alkyl

Ile80

4.25

Ï€ -Sulfur

Phe121

7.56

π - π stacked

Ile124

5.56

Alkyl

Tyr131

5.13 and 5.91

π -Alkyl and π -Alkyl

Arg132

6.74

Carbon Hydrogen

Cys133

4.29 and 4.58

Alkyl and π -Sulfur

Phe151

6.37

Ï€ -Alkyl

Ile153

4.55 and 5.21

Ï€ -Sigma and Alkyl

Vitexin

Cys25

7.30

Ï€ -Sulfur

Ile32

5.24 and 6.91

π -Alkyl and π -Alkyl

Ile46

4.60 and 5.89

Van der Waals and π -Alkyl

Ile52

5.96 and 7.04

π -Sigma and π -Alkyl