Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
The SARS-CoV-2 main protease is an important target for the development of COVID-19 therapeutics. Here, the authors combine X-ray crystallography and mass spectrometry and performed a large scale fragment screening campaign, which yielded 96 liganded structures of this essential viral protein that a...
Guardado en:
| Autores principales: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
|---|---|
| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2020
|
| Materias: | |
| Acceso en línea: | https://doaj.org/article/d499338758524d99942f9963faf75661 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| id |
oai:doaj.org-article:d499338758524d99942f9963faf75661 |
|---|---|
| record_format |
dspace |
| spelling |
oai:doaj.org-article:d499338758524d99942f9963faf756612021-12-02T18:37:29ZCrystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease10.1038/s41467-020-18709-w2041-1723https://doaj.org/article/d499338758524d99942f9963faf756612020-10-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-18709-whttps://doaj.org/toc/2041-1723The SARS-CoV-2 main protease is an important target for the development of COVID-19 therapeutics. Here, the authors combine X-ray crystallography and mass spectrometry and performed a large scale fragment screening campaign, which yielded 96 liganded structures of this essential viral protein that are of interest for further drug development efforts.Alice DouangamathDaren FearonPaul GehrtzTobias KrojerPetra LukacikC. David OwenEfrat ResnickClaire Strain-DamerellAnthony AimonPéter Ábrányi-BaloghJosé Brandão-NetoAnna CarberyGemma DavisonAlexandre DiasThomas D. DownesLouise DunnettMichael FairheadJames D. FirthS. Paul JonesAaron KeeleyGyörgy M. KeserüHanna F. KleinMathew P. MartinMartin E. M. NoblePeter O’BrienAilsa PowellRambabu N. ReddiRachael SkynerMatthew SneeMichael J. WaringConor WildNir LondonFrank von DelftMartin A. WalshNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-11 (2020) |
| institution |
DOAJ |
| collection |
DOAJ |
| language |
EN |
| topic |
Science Q |
| spellingShingle |
Science Q Alice Douangamath Daren Fearon Paul Gehrtz Tobias Krojer Petra Lukacik C. David Owen Efrat Resnick Claire Strain-Damerell Anthony Aimon Péter Ábrányi-Balogh José Brandão-Neto Anna Carbery Gemma Davison Alexandre Dias Thomas D. Downes Louise Dunnett Michael Fairhead James D. Firth S. Paul Jones Aaron Keeley György M. Keserü Hanna F. Klein Mathew P. Martin Martin E. M. Noble Peter O’Brien Ailsa Powell Rambabu N. Reddi Rachael Skyner Matthew Snee Michael J. Waring Conor Wild Nir London Frank von Delft Martin A. Walsh Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease |
| description |
The SARS-CoV-2 main protease is an important target for the development of COVID-19 therapeutics. Here, the authors combine X-ray crystallography and mass spectrometry and performed a large scale fragment screening campaign, which yielded 96 liganded structures of this essential viral protein that are of interest for further drug development efforts. |
| format |
article |
| author |
Alice Douangamath Daren Fearon Paul Gehrtz Tobias Krojer Petra Lukacik C. David Owen Efrat Resnick Claire Strain-Damerell Anthony Aimon Péter Ábrányi-Balogh José Brandão-Neto Anna Carbery Gemma Davison Alexandre Dias Thomas D. Downes Louise Dunnett Michael Fairhead James D. Firth S. Paul Jones Aaron Keeley György M. Keserü Hanna F. Klein Mathew P. Martin Martin E. M. Noble Peter O’Brien Ailsa Powell Rambabu N. Reddi Rachael Skyner Matthew Snee Michael J. Waring Conor Wild Nir London Frank von Delft Martin A. Walsh |
| author_facet |
Alice Douangamath Daren Fearon Paul Gehrtz Tobias Krojer Petra Lukacik C. David Owen Efrat Resnick Claire Strain-Damerell Anthony Aimon Péter Ábrányi-Balogh José Brandão-Neto Anna Carbery Gemma Davison Alexandre Dias Thomas D. Downes Louise Dunnett Michael Fairhead James D. Firth S. Paul Jones Aaron Keeley György M. Keserü Hanna F. Klein Mathew P. Martin Martin E. M. Noble Peter O’Brien Ailsa Powell Rambabu N. Reddi Rachael Skyner Matthew Snee Michael J. Waring Conor Wild Nir London Frank von Delft Martin A. Walsh |
| author_sort |
Alice Douangamath |
| title |
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease |
| title_short |
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease |
| title_full |
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease |
| title_fullStr |
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease |
| title_full_unstemmed |
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease |
| title_sort |
crystallographic and electrophilic fragment screening of the sars-cov-2 main protease |
| publisher |
Nature Portfolio |
| publishDate |
2020 |
| url |
https://doaj.org/article/d499338758524d99942f9963faf75661 |
| work_keys_str_mv |
AT alicedouangamath crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT darenfearon crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT paulgehrtz crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT tobiaskrojer crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT petralukacik crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT cdavidowen crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT efratresnick crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT clairestraindamerell crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT anthonyaimon crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT peterabranyibalogh crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT josebrandaoneto crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT annacarbery crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT gemmadavison crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT alexandredias crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT thomasddownes crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT louisedunnett crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT michaelfairhead crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT jamesdfirth crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT spauljones crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT aaronkeeley crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT gyorgymkeseru crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT hannafklein crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT mathewpmartin crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT martinemnoble crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT peterobrien crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT ailsapowell crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT rambabunreddi crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT rachaelskyner crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT matthewsnee crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT michaeljwaring crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT conorwild crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT nirlondon crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT frankvondelft crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease AT martinawalsh crystallographicandelectrophilicfragmentscreeningofthesarscov2mainprotease |
| _version_ |
1718377828614930432 |