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. 2025 Sep 30;10(40):46353–46368. doi: 10.1021/acsomega.4c10660

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