Table 1.

The lowest binding energies obtained from AutoDock 4.2 and interacting amino acids.

Compounds	Lowest Binding Energy (kcal/mol)	Interacting Amino Acids
TAK-285	−5.85	MET 93, ARG 41, ASN 42, LYS 45, LEU88, CYS 75
1a	−8.49	MET 93, LYS 45, ASP 55, THR 54
1b	−8.82	MET 93
1c	−7.13	ARG 41, ASP 55, PHE 56, MET 66, LEU 18
1d	−8.63	MET 93, ARG 41, ASN 42
1e	−8.68	MET 93, LYS 45, MET 66, LEU 18
1f	−9.36	MET 93, ARG 41, ASN 42, ASP 55, PHE 56, CYS 97
1g	−5.66	CYS 75, LYS 45, LYS 52