In Silico Screening, Alanine Mutation, and DFT Approaches for Identification of NS2B/NS3 Protease Inhibitors

Table 5

Comparison with existing ligands.

Residues	4-Hydroxypanduratin A	Panduratin A	Ligand 19	Ligand 8	Ligand 7
Ile36					√
His51			√
Asp75	√		√
Gly133			√
Phe130			√	√
Gly151	√	√	√		√
Gly153			√	√