De novo Design of SARS-CoV-2 Main Protease Inhibitors

Fischer, Christian; Veprek, Nynke A.; Peitsinis, Zisis; Ruhmann, Klaus-Peter; Yang, Chao; Spradlin, Jessica N.; Dovala, Dustin; Nomura, Daniel K.; Zhang, Yingkai und Trauner, Dirk (2021): De novo Design of SARS-CoV-2 Main Protease Inhibitors. In: Synlett, Bd. 33, Nr. 5: S. 458-463

Abstract

The COVID-19 pandemic prompted many scientists to investigate remedies against SARS-CoV-2 and related viruses that are likely to appear in the future. As the main protease of the virus, M-Pro , is highly conserved among coronaviruses, it has emerged as a prime target for developing inhibitors. Using a combination of virtual screening and molecular modeling, we identified small molecules that were easily accessible and could be quickly diversified. Biochemical assays confirmed a class of pyridones as low micromolar noncovalent inhibitors of the viral main protease.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Chemie und Pharmazie > Department Chemie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 0936-5214
• Sprache: Englisch