Table 2.

Dual-binding site heterodimers of potent phytochemicals with anti-cholinesterase activity.

Ligand	Mol. Formula	2D Structures	AChE Affinity (kcal/mol)	BuChE Affinity (kcal/mol)
Huperzine-4C-Naringenin	C34H36N2O5		−14.1	−12.3
Naringenin-4C- Galantamine	C35H37NO7		−14.0	−11.9
Huperzine-4C- Galantamine	C35H43N3O4		−13.4	−11.4
Huperzine-5C- Carvone	C30H41N3O		−13.0	−10.0
Yohimbine-5C- Carvone	C35H48N4O2		−13.0	−11.6
Galantamine-4C- Carvone	C30H40N2O3		−12.9	−11.0
Sanguinarine-4C- Carvone	C33H34N2O4		−12.7	−10.4
Berberine-4C- Carvone	C34H39N2O4+		−11.8	−10.3
Chelerythrine-4C-Carvone	C33H37N2O4		−11.8	−10.3
Berberastine-4C- Carvone	C33H37N2O5+		−11.6	−10.4
Akuammicine-4C-Carvone	C32H41N3		−11.1	−11.6
Donepezil	C24H29NO3		−10.5	−9.8