3. Binding Affinities and Interacting Residues of All Four Complexes (CHIKV nsP2 Pro-3c, CHIKV nsP2 Pro-3f, DENV NS2B-NS3 Pro-3c, and DENV NS2B-NS3 Pro-3f) Derived from Molecular Docking Studies through AutoDock Vina Tool.
| complex | binding affinity (kcal/mol) | interacting residues |
|---|---|---|
| CHIKV nsP2 Pro-3c | –5.7 | SER482, HIS548, TRP549, ASN551 |
| CHIKV nsP2 Pro-3f | –5.8 | HIS548, TRP549, ASN551 |
| DENV NS2B-NS3 Pro-3c | –6.1 | HIS51, LYS74, GLY87, SER135, GLY151 |
| DENV NS2B-NS3 Pro-3f | –5.4 | HIS51, LYS74, GLY133, GLY151 |