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Pfefferle Susanne

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Design, structure-based optimization and antiviral evaluation of potent inhibitors for the macrodomain Mac1 of SARS-CoV-2

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By Maximilian Sandmann, Simon Sander, David Carrillo, Benedikt Ganter, Celine J. Fischer, Neele Pekarek, Julia M. Berger, Toni Luise Meister, Bruno Canard, Joanna M Watt, Barry Potter, Chris Meier, Sahra Tajdar, Marina Ocenas, Stefanie Etzold, Barbara Selisko, Maria Garcia Alai, Tidow Henning, Pfefferle Susanne, Ralf Fliegert
| Nature Verified
Abstract Enzymatically active macrodomains of (+)ss-RNA viruses mediate immune evasion by countering ADP-ribosylation and are therefore promising druggable targets. Here we report testing of ADP / ADP-ribose analogues for their ability to inhibit Mac1 of SARS-CoV-2, measurement of the affinity of active compounds and characterization of their binding mode by cocrystallization, uncovering critical molecular determinants of protein-ligand interaction.
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