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

Figure 3.

Figure 3

Electrostatic potential surfaces of different inhibitors with substrate-binding pocket of SARS-CoV-2 Mpro: SARS-CoV-2 Mpro-DRV (a), SARS-CoV-2 Mpro-LPV (b), SARS-CoV-2 Mpro-NFV (c), SARS-CoV-2 Mpro-RBV (d), and SARS-CoV-2 Mpro-RTV (e). Red shows negative charge and blue shows positive charge. Most of the substrate-binding pocket is net neutral and facilitates the inhibitor binding. However, in the SARS-CoV-2 Mpro-RBV complex, the substrate-binding pocket shows negative charge. The Connolly surface of the protein was created using the Discovery Studio scripts with surface electrostatic potential.