SARS-CoV-2 Mpro and inhibitor nirmatrelvir

3D Model

Main protease (Mpro) is an enzyme that is essential for SARS-CoV-2 viral genome replication. It cleave proteins which assembles the replication-transcription complex that starts viral replication. As Mpro is found to be conserved among SARS-CoV-2 variants, it is therefore an ideal target for drug development against COVID-19. Nirmatrelvir, a reversible covalent inhibitor targets SARS-CoV-2 Mpro specifically to stop viral replication in such a way serve as treatment of COVID-19. This model shows some of the interaction between nirmatrelvir and SARS-CoV Mpro.

Nirmatrelvir (salmon) and its interacting protease residues/side chains shown as sticks with oxygen in red, nitrogen in blue, fluorine in light blue, and sulphur in light yellow. All water molecules except ordered water molecules W1 (orange sphere), W2 and W3 (light pink spheres) are removed to present interactions around the active site more clearly.