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Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease

by Niebling, Stephan , Trost, Fabian , Wolf, Markus , Falke, Sven , Brognaro, Hévila , Perbandt, Markus , Franca, Bruno Alves , Brings, Lea , Saouane, Sofiane , Meents, Alke , Günther, Sebastian , Oliveira, Danielle Bruna Leal , Turk, Dusan , Domaracky, Martin , Groessler, Michael , Garcia, Angelica Struve , Wang, Mengying , Han, Huijong , Schmidt, Christina , Yefanov, Oleksandr , Barra, Angélica Luana C. , Wrenger, Carsten , Hinrichs, Winfried , Durigon, Edison Luiz , Prabhu, Prince R. , de Souza, Edmarcia Elisa , Gelisio, Luca , Galchenkova, Marina , Ewert, Wiebke , Mashhour, Aida Rahmani , Pearson, Arwen R. , Hakanpää, Johanna , Middendorf, Philipp , Schubert, Robin , Alai, Maria Garcia , Srinivasan, Vasundara , Sprenger, Janina , Machado, Rafael Rahal Guaragna , Lorenzen, Kristina , Candido, Erika Donizette , Betzel, Christian , Lieske, Julia , Werner, Nadine , Reinke, Patrick Y. A. , Chapman, Henry N. , Ginn, Helen , Koua, Faisal H. M. , Andaleeb, Hina , Schwinzer, Martin , Ullah, Najeeb , Lane, Thomas J.

in 14 / 631/45 / 631/535 / 82 / Allosteric properties / Antiviral activity / Biology / Biomedical and Life Sciences / Coronaviruses / COVID-19 / Cytotoxicity / Drug development / Immune response / Innate immunity / Interferon / Life Sciences / Papain / Phenolic compounds / Proteinase / Severe acute respiratory syndrome coronavirus 2 / Ubiquitin

2022

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Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease

2022

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2022

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Journal Article

Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease

Niebling, Stephan,

Trost, Fabian,

Wolf, Markus,

Falke, Sven,

Brognaro, Hévila,

Perbandt, Markus,

Franca, Bruno Alves,

Brings, Lea,

Saouane, Sofiane,

Meents, Alke,

Günther, Sebastian,

Oliveira, Danielle Bruna Leal,

Turk, Dusan,

Domaracky, Martin,

Groessler, Michael,

Garcia, Angelica Struve,

Wang, Mengying,

Han, Huijong,

Schmidt, Christina,

Yefanov, Oleksandr,

Barra, Angélica Luana C.,

Wrenger, Carsten,

Hinrichs, Winfried,

Durigon, Edison Luiz,

Prabhu, Prince R.,

de Souza, Edmarcia Elisa,

Gelisio, Luca,

Galchenkova, Marina,

Ewert, Wiebke,

Mashhour, Aida Rahmani,

Pearson, Arwen R.,

Hakanpää, Johanna,

Middendorf, Philipp,

Schubert, Robin,

Alai, Maria Garcia,

Srinivasan, Vasundara,

Sprenger, Janina,

Machado, Rafael Rahal Guaragna,

Lorenzen, Kristina,

Candido, Erika Donizette,

Betzel, Christian,

Lieske, Julia,

Werner, Nadine,

Reinke, Patrick Y. A.,

Chapman, Henry N.,

Ginn, Helen,

Koua, Faisal H. M.,

Andaleeb, Hina,

Schwinzer, Martin,

Ullah, Najeeb,

Lane, Thomas J.

2022

Overview

SARS-CoV-2 papain-like protease (PLpro) covers multiple functions. Beside the cysteine-protease activity, facilitating cleavage of the viral polypeptide chain, PLpro has the additional and vital function of removing ubiquitin and ISG15 (Interferon-stimulated gene 15) from host-cell proteins to support coronaviruses in evading the host’s innate immune responses. We identified three phenolic compounds bound to PLpro, preventing essential molecular interactions to ISG15 by screening a natural compound library. The compounds identified by X-ray screening and complexed to PLpro demonstrate clear inhibition of PLpro in a deISGylation activity assay. Two compounds exhibit distinct antiviral activity in Vero cell line assays and one inhibited a cytopathic effect in non-cytotoxic concentration ranges. In the context of increasing PLpro mutations in the evolving new variants of SARS-CoV-2, the natural compounds we identified may also reinstate the antiviral immune response processes of the host that are down-regulated in COVID-19 infections. Three natural phenolic compounds are found to bind to an allosteric site in SARS-CoV-2 papain-like protease and exhibit antiviral activity in vitro, showing potential as starting scaffolds for drug design.

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Publisher

Nature Publishing Group UK,Nature Publishing Group,Nature Portfolio

Subject

/ 631/45

/ 631/535

/ 82

/ Allosteric properties

/ Antiviral activity

/ Biology

/ Biomedical and Life Sciences