Table 4.

Four active compounds and their docking results.

Compound	BACE1			MAO-B
	Score	Binding residues	Binding force	Score	Binding residues	Binding force
S-5	−29.7	THR (232A); GLN (12A);THR (232A)	H-acceptor; pi-H; pi-H	−44.0	CYS (397A); GLY (13A)	H-donor; pi-H
S-8	−32.7	ASP (32A); THR (231A)	H-donor; pi-H	−38.4	TYR (398A)	H-pi
S-12	−27.8	THR (231A)	pi-H	−35.4	TRP (388A)	H-pi
S-13	−28.4	GLN (73A); ARG (307A)	H-donor; H-acceptor	−34.1	TRP (388A)	H-pi
Ligand	−35.8	–	–	−51.7	–	–