Table 5.

Binding affinities (KJ/mol) of the ligands against acetylcholinesterase and butyrylcholinesterase receptors calculated with Glide G score, Dock score, and MM/GBSA

		Acetylcholinesterase (AChE)				Butyrylcholinesterase (BChE)
S/N	Compound	Glide score	DOCK SCORE	MM-GBSA	H-Bond	Glide score	DOCK SCORE	MM-GBSA	H-Bond
1	Donepezil	−16.6	−16.6	− 81.35	3	−8.9	−8.9	−50.25	0
2	B-carotene	*	*	*	1	−5.3	−5.3	−30.24	1
3	Neoxanthin	−10.2	−10.2	− 103.11	3	−9.1	−9.1	−95.11	3
4	Violaxanthin	−9.1	− 9.1	−103.43	1	*	*	*	*
5	Lutein	*	*	*	*	−5.2	−5.2	− 83.23	1