Table 1.

Summary of ranking list of molecular docking screen.

Chemical name	Binding affinity	Binding residues (H-bond)	Binding residues (π-π)
Huperzine A	−10.4	Ser125, 203	Trp86, Tyr337
Galantamine	−8.4	Trp86, Tyr337, 124	Trp86, Tyr337
Tacrine	−8.4	Tyr337	Trp86
Emodin	−8	Tyr133, 337, Glu202	Trp86
Aloe-emodin	−8.2	Trp86, Ser125	Tyr337
Chrysophanol	−8		Trp86
Rhein	−7.4	Asp74, Tyr337	Trp86
Xanthotoxin	−8.5	Ser125	Trp86, Tyr337
Phellopterin	−8.5	Tyr337, 124, Ser125	Trp86
Alloisoimperatorin	−9.4	Tyr133, Asn87, Ser125	Trp86
Imperatorin	−8.2	Tyr337, 341, 124, Asp74	Trp86
Shikonin	−9.2	Glu202, Tyr337	Trp86
Acetylshikonin	−8.6	Ser203, Gly121, 122, 126	Trp86, Tyr124
Isovalerylshikonin	−8.1	Gly120, 126, Tyr337, Ser203	Trp86
β,β-Dimethylacrylshikonin	−8.5	Tyr337, Ser203, Gly120, 121, 122	Trp86