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. 2021 Dec 5;26(23):7385. doi: 10.3390/molecules26237385

Figure 5.

Figure 5

The key interactions at the active sites of the representative conformations of SARS-CoV-2 Mpro-DRV/LPV/NFV/RBV/RTV complexes with equilibrium stabilization. The interactions derived from the representative conformation of SARS-CoV-2 Mpro-DRV complex (a), SARS-CoV-2 Mpro-LPV complex (b), SARS-CoV-2 Mpro-NFV complex (c), SARS-CoV-2 Mpro-RBV complex (d), and SARS-CoV-2 Mpro-RTV complex (e) obtained from the MD trajectories. Many critical residues, e.g., Gln 192, Cys145, His41, His164, and Met49, are involved in the binding interactions. Residue interactions with ligand are colored in silver.