Table 2.

Molecular docking results of Laurencia snackeyi metabolites with Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE) protein

Compound number	S-score (kcal/mol)	RMSD (Å)	H bond	Van der Waals	C–H bond	Amino acid residue (H bond)
Acetylcholinesterase (AChE)
Galantamine	$-$ 7.47	1.06	1	15	1	*Glu202
31	$-$ 8.72	1.53	1	18	2	Tyr133
42	$-$ 8.22	3.88	2	23	1	Ser293; Tyr341
34	$-$ 8.13	1.81	2	23	0	Trp286; Ser293
30	$-$ 7.97	1.79	0	19	0	–
50	$-$ 7.80	0.96	2	21	1	Val294
43	$-$ 7.80	2.08	2	21	1	*Trp86; Tyr341
53	$-$ 7.73	1.70	2	15	1	*Glu202; *Phe295
39	$-$ 7.73	1.92	1	19	2	*Glu202
32	$-$ 7.69	1.88	2	21	1	Tyr34; Tyr124
54	$-$ 7.54	1.59	1	21	0	Ser125
Butyrylcholinesterase (BChE)
Tacrine	$-$ 5.98	3.60	1	13	0	–
42	$-$ 8.69	1.78	0	20	1	–
30	$-$ 8.07	1.45	3	19	0	Gly116; Gly117; Ser198
34	$-$ 7.75	1.17	1	21	0	Gln71
31	$-$ 7.73	1.67	3	21	0	Gly117; Ser198; Ala199
53	$-$ 7.55	4.86	4	16	0	Gly116; Ser198; Ser198; *His438
50	$-$ 7.40	2.66	2	16	1	Gly115; Gly116
39	$-$ 7.34	1.25	1	16	2	Leu286
40	$-$ 7.25	1.92	1	20	1	*Glu197
43	$-$ 7.24	1.19	1	20	2	Leu286
54	$-$ 7.24	2.51	3	22	0	Gly116; Gly117; Ser198

^*Hydrogen bond formed with amino acid residues from binding site