Research Article

Inhibition of Acetylcholinesterase and Butyrylcholinesterase by a Plant Secondary Metabolite Boldine

Table 3

Found facts about boldine and cholinesterases.

EnzymeInhibition mechanismIC50 (μmol/l) by spectrophotometry (kcal/mol) in silicoAnionic subsite interaction in silicoPeripheral anionic subsite interaction in silico

AChENoncompetitive372.30−7.6 (a. site)
−6.2 (p. site)
H-bond: Asp 74
π-π: Trp 86
H-bond: Ser 293
π-π: Trp 286
BChE321.85−9.7H-bond: Thr 120, Glu 197
π-π: Trp 82