Figure 1 — Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CLpro through high-throughput virtual screening and molecular dynamics simulation

Research Paper|Volume 13, Issue 5|pp. 6258–6272

Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CL^pro through high-throughput virtual screening and molecular dynamics simulation

Back to articleFigure 1(1 of 7)

100%

Figure 1.The complex structure of 3CL^pro protein and synthetic peptidomimetic inhibitor N3. 3CL^pro contains three domains, namely domain I, domain II, and domain III, and a connecting loop. Residues His41 and Cys145 are important catalytic dyads.