Research Article
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 |
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