Figure 2.

Schematically representation of the RBD-ACE2 complex protein-protein interaction. (A) Viral entry mechanism of SARS-CoV-2. (B) Trimeric S protein RBD interaction inhibition with ACE2 by repurposed antiviral drugs. (C) Bar graph of binding affinities (kcal/mole) of selected antiviral drugs from virtual screening to RBD-ACE2 complex. (D) ACE2 binding to trimeric S protein RBD in a closed conformation. (E and G) Key residues of the interaction mechanism. Blue-colored residues are from the ACE2 enzyme and green-shaded residues from trimeric S protein (F) Open conformation of the antiviral drug (PC786) that conjugates the RBD-ACE2 complex [4]. (Reproduced with permission, © AAAS Science Advances).