Acetylshikonin, a Novel AChE Inhibitor, Inhibits Apoptosis via Upregulation of Heme Oxygenase-1 Expression in SH-SY5Y Cells

Table 2

Summary of potential AChE inhibitors from molecular docking screen.

Plant	Classification	Chemical name	Core structure	R1	R2	IC50 [μM]
Rhei Radix Et Rhizoma	Anthraquinone	Emodin		CH3	OH	21.8
		Aloe-emodin		CH2OH	H	26.8
		Chrysophanol		H	OH	75.8
		Rhein		COOH	OH	236.6
Angelicae Dahuricae Radix	Furanocoumarin	Xanthotoxin		OCH3	H	132.7
		Phellopterin		OCH2CHC(CH3)2	OCH3	177.4
		Alloisoimperatorin		CH2CHC(CH3)2	OH	20.7
		Imperatorin		OCH2CHC(CH3)2	H	Undetected
Arnebiae Radix	Naphthoquinone	Shikonin		H	—	71.8
		Acetylshikonin		C(O)CH3	—	34.6
		Isovalerylshikonin		C(O)CH2CH(CH3)2	—	82.4
		β,β-Dimethylacrylshikonin		C(O)CHC(CH3)2	—	62.4