Table 2.

Binding energy, inhibitory constant and the interacting amino acids of TRP 1 with BPA, BPB, BPC, BPE, BPS and BPAF

Ligand	Binding energy (kcal/mol)	Inhibitory constant (μM)	Interacting amino acids
BPA	− 5.38	113.29 μM	ALA 24, ALA 25, SER 25, PHE 83, LYS 86, GLU 82, HIS 79, ILE 110
BPB	− 5.85	51.63 μM	ALA 11, VAL 14, PRO 15, LEU 18, VAL 41, GLU 19
BPC	− 7.26	4.75 μM	GLU 82, HIS 79, ILE 110, ILE 29, ALA 25, PHE 83
BPE	− 6.37	21.54 μM	HIS 79, ILE 110, ILE 29, SER 28, ALA 25, PHE 83
BPS	− 6.21	28.09 M	GLU 82, HIS 79, ILE 29, ILE 110, GLY 111
BPAF	− 5.56	83.38 μM	ALA 25, GLU 82, ILE 11O, ILE 29, LYS 86, PHE 83