Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332

• Main Authors: Matteo Pavan (Author), Giovanni Bolcato (Author), Davide Bassani (Author), Mattia Sturlese (Author), Stefano Moro (Author)
• Format: Knjiga
• Izdano: Taylor & Francis Group, 2021-01-01T00:00:00Z.
• Teme: article
• Online dostop: Connect to this object online.

The chemical structure of PF-07321332, the first orally available Covid-19 clinical candidate, has recently been revealed by Pfizer. No information has been provided about the interaction pattern between PF-07321332 and its biomolecular counterpart, the SARS-CoV-2 main protease (Mpro). In the presen...