Table 4.

Screening of potential D₂R antagonists from typical compounds of Aurantii fructus.

Compound	Score (kcal/mol)	Hydrophobic Residues (within a range of 4 Å)	H-Bond	Hydrogen Bond Residue
Risperidone a	−12.0	TRP-100, PHE-110, VAL-115, ALA-122, PHE-198, PHE-382, TRP-386, PHE-389, PHE-390	1	ASP-114
Domperidone b	−10.7	VAL-91, LEU-94, TRP-100, PHE-110, VAL-115, ALA-122, ILE-184, PHE-189, PHE-198, PHE-382, TRP-386, PHE-389, PHE-390, TRP-413	1	ASP-114
Naringenin	−9.3	VAL-91, LEU-94, TRP-100, PHE-110, VAL-115, ALA-122, ILE-184, PHE-189, VAL-190, PHE-198, PHE-382, TRP-386, PHE-389, PHE-390, TRP-413,	2	ASP-114, HIS-393

^a original ligand; ^b positive drug.