Table 3.

DENV2 NS2B/NS3 protease binding affinity (kcal/mol) and ligand interactions.

Compound	Binding Affinity	Residues Interacting with Ligand
SF1	−7.835	His51, Tyr151
SF2	−8.011	His51, Leu128
1	−4.234	None
3	−7.413	His51, Gly153
6	−6.124	None
7	−7.123	Val72, Asp75, Gly153
Bz-Nle-Lys-Arg-Arg-H	−11.323	His51, Val72, Asp75, Asn152