Research Article
In Silico Identification of New Anti-SARS-CoV-2 Main Protease (Mpro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening
Figure 7
2D and 3D interaction diagrams showing the binding sites residues. (A) 3D structure of the four drug candidates showing their binding interaction with the target protein (SARS-CoV-2 Mpro. (B) 3D structure displaying the four drug candidates within the binding pocket of the target protein.
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