Table 9. Amino Acid Interactions and Docking Scores Exhibited by Ligands 1a, 2a, 3e, 4d, 5d, and 6d against PDB 2DWB^a.

compound code	amino acid involved in the interactions	type of bond	distance (Å)	HB strength	docked score (kcal/mol)
1a	LYS 143	HB	3.00	strong	–8.80
	GLU 260	HB	2.74	strong
	ASP 274	HB	2.85	strong
2a	ARG 137	HB	2.13	strong	–8.06
	ALA 213	halogen bond	2.03
3e	GLU 211	HB	2.53	strong	–7.71
	ALA 213	HB	2.88	strong
	GLY 216	HB	3.02	strong
4d	LYS 162	HB	2.20	strong	–7.13
	GLU 260	HB	3.01	strong
	ASP 274	HB	3.22	weak
5d	LYS 162	HB	2.25	strong	–7.84
	ASP 274	HB	3.34	weak
6d	LYS 141	HB	2.37	strong	–7.88
	LYS 162	HB	2.90	strong

^aHB = hydrogen bond.