Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme
Cold water benthic environments are a prolific source of structurally diverse molecules with a range of bioactivities against human disease. Specimens of a previously chemically unexplored soft coral, Duva florida, were collected during a deep-sea cruise that sampled marine invertebrates along the Irish continental margin in 2018. Tuaimenal A (1), a cyclized merosesquiterpenoid representing a new carbon scaffold with a highly substituted chromene core, was discovered through exploration of the soft coral secondary metabolome via NMR-guided fractionation. The absolute configuration was determined through vibrational circular dichroism. Functional biochemical assays and in silico docking experiments found tuaimenal A selectively inhibits the viral main protease (3CLpro) of SARS-CoV-2.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:85 |
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| Enthalten in: |
Journal of natural products - 85(2022), 5 vom: 27. Mai, Seite 1315-1323 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Avalon, Nicole E [VerfasserIn] |
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| Links: |
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| Themen: |
Antiviral Agents |
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| Anmerkungen: |
Date Completed 30.05.2022 Date Revised 31.08.2023 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1021/acs.jnatprod.2c00054 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM34077424X |
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| 520 | |a Cold water benthic environments are a prolific source of structurally diverse molecules with a range of bioactivities against human disease. Specimens of a previously chemically unexplored soft coral, Duva florida, were collected during a deep-sea cruise that sampled marine invertebrates along the Irish continental margin in 2018. Tuaimenal A (1), a cyclized merosesquiterpenoid representing a new carbon scaffold with a highly substituted chromene core, was discovered through exploration of the soft coral secondary metabolome via NMR-guided fractionation. The absolute configuration was determined through vibrational circular dichroism. Functional biochemical assays and in silico docking experiments found tuaimenal A selectively inhibits the viral main protease (3CLpro) of SARS-CoV-2 | ||
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| 700 | 1 | |a Dietrick, Sarah G |e verfasserin |4 aut | |
| 700 | 1 | |a Pittman, Amanda R |e verfasserin |4 aut | |
| 700 | 1 | |a Young, Ryan M |e verfasserin |4 aut | |
| 700 | 1 | |a Kearns, Fiona L |e verfasserin |4 aut | |
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| 700 | 1 | |a Allcock, A Louise |e verfasserin |4 aut | |
| 700 | 1 | |a Baker, Bill J |e verfasserin |4 aut | |
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