Table 4. Binding Energy and Interaction Residues of Bromophenols from S. latiuscula against Butyrylcholinesterase (4bds).

compounds	binding energy (kcal/mol)a	H-bonds interactions	other interactions
1	–6.17	Pro285	His438 (π–π T-shaped), Trp231, Leu286, Phe329, Gly116
2	–6.44	His438, Ser198, Pro285 (2 bonds)	Trp231, Ala199, Val288, Leu286, Phe329 (π–π T-shaped)
3	–9.80	His438 (2 bonds), Trp82 (3 bonds)	Ala328, Trp430, Phe329, Gly116, His438, Trp82
tacrineb	–8.60	His438	Glu197 (attractive charge), Trp82 (π–cation, π–π stacked, π–alkyl), Ala328 (π–alkyl)

^aEstimated binding energy of the ligand–receptor complex.

^bReference ligand.