Home > Publications database > Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors > print

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100 1 _ |a Kloskowski, Patrick
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245 _ _ |a Myricetin-bound crystal structure of the SARS-CoV-2 helicase NSP13 facilitates the discovery of novel natural inhibitors
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520 _ _ |a The SARS-CoV-2 helicase NSP13 is a highly conserved and essential component of the viral replication machinery, making it a promising target for antiviral drug development. Here, we present the 2 Å resolution crystal structure of NSP13 bound to the natural flavonoid myricetin, revealing a conserved allosteric binding site. Guided by these structural findings, a virtual screening campaign identified the caffeic acid derivatives rosmarinic acid and chlorogenic acid as potential novel natural inhibitors, which were experimentally validated to inhibit RNA-unwinding activity. This study provides structural insights that could support ongoing drug-discovery efforts targeting NSP13 in SARS-CoV-2 and other coronaviruses with pandemic potential.
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700 1 _ |a Neumann, Piotr
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700 1 _ |a Kumar, Priya
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700 1 _ |a Berndt, Annette
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700 1 _ |a Dobbelstein, Matthias
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700 1 _ |a Ficner, Ralf
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773 _ _ |a 10.1107/S2059798325004498
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