A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics

Jonas Gossen,Simone Albani,Anton Hanke,Benjamin P. Joseph,Cathrine Bergh,Maria Kuzikov,Elisa Costanzi,Candida Manelfi,Paola Storici,Philip Gribbon,Andrea R. Beccari,Carmine Talarico,Francesca Spyrakis,Erik Lindahl,A. Zaliani,Paolo Carloni,Rebecca C. Wade,Francesco Musiani,Daria B. Kokh,Giulia Rossetti

A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics

2021

The SARS-CoV-2 coronavirus outbreak continues to spread at a rapid rate worldwide. The main protease (Mpro) is an attractive target for anti-COVID-19 agents. Unexpected difficulties have been encou...

Keywords:

Virology
severe acute respiratory syndrome coronavirus 2
Biology
Druggability
Coronavirus
Protease
Virtual screening
rapid rate

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