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Figure 9 | Theoretical Biology and Medical Modelling

Figure 9

From: In silico modeling of the specific inhibitory potential of thiophene-2,3-dihydro-1,5-benzothiazepine against BChE in the formation of β-amyloid plaques associated with Alzheimer's disease

Figure 9

Docked pose of Compound A in BChE. CT (Ser198, His438, Glu325; yellow), OH (Gly116, Gly17, Ala199; purple), π-π interacting residues (Trp82, Tyr332; chartreuse) and charged residues (Glu197, Asp70; orange red) are shown here around the molecular surface representation of Compound A. The amino acid residues in grey are substituted in BChE.

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Theoretical Biology and Medical Modelling

ISSN: 1742-4682