Table 3.
Enzyme | Inhibition mechanism | IC50 (μmol/l) by spectrophotometry | ΔG (kcal/mol) in silico | Anionic subsite interaction in silico | Peripheral anionic subsite interaction in silico |
---|---|---|---|---|---|
AChE | Noncompetitive | 372.30 | −7.6 (a. site) −6.2 (p. site) |
H-bond: Asp 74 π-π: Trp 86 |
H-bond: Ser 293 π-π: Trp 286 |
BChE | 321.85 | −9.7 | H-bond: Thr 120, Glu 197 π-π: Trp 82 |
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