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Figure 7 | Theoretical Biology and Medical Modelling

Figure 7

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 7

Docked pose of Compound A in AChE. CT (Ser200, His440, Glu327; yellow), OH (Gly118, Gly119, Ala201; purple), AS (Trp84, Tyr121, Glu199, Gly449, Ile444; Grey), ABP (Trp233, Phe290, Phe292, Phe330, Phe331; Deep pink), PAS (Asp72, Tyr121, Ser122, Trp279, Phe331, Tyr334; Cyan) and Compound A (green) are represented as stick model. The hydrogen bonding (black dashed lines with bond lengths) by flexible orientation of ring A and molecular surface of Compound A shows how well it fits in the deep and narrow aromatic gorge lined with aromatic residues. The residues indicated as italic fonts in legend are considered as dual characteristics.

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Theoretical Biology and Medical Modelling

ISSN: 1742-4682