Tuaimenal A, a Meroterpene from the Previously Unexplored Deep-Sea Irish Soft Coral of the Genus <i>Drifa</i>, Displays <i>in Silico</i> Binding of the Main Protease of SARS-CoV-2
Cold water benthic environments are a prolific source of structurally diverse molecules with a range of bioactivity against human disease. Specimens of a previously chemically unexplored soft coral, Drifa sp., were collected during a deep-sea cruise that sampled marine invertebrates along the Irish continental margin in 2018. Tuaimenal A (1), a compound representing new carbon scaffold with a highly substituted chromene core, was discovered through the exploration of the secondary metabolome of the soft coral through NMR-guided fractionation. VCD analysis was used to determine absolute stereochemistry. This molecule demonstrates a strong profile for inhibition of the main protease (Mpro) of SARS-CoV-2 based on in silico docking experiments..
Medienart: |
Preprint |
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Erscheinungsjahr: |
2021 |
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Erschienen: |
2021 |
Enthalten in: |
chemRxiv.org - (2021) vom: 18. Nov. Zur Gesamtaufnahme - year:2021 |
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Sprache: |
Englisch |
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Beteiligte Personen: |
Avalon, Nicole E. [VerfasserIn] |
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Links: |
Volltext [kostenfrei] |
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Themen: |
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doi: |
10.26434/chemrxiv.14379674 |
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funding: |
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Förderinstitution / Projekttitel: |
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PPN (Katalog-ID): |
XCH020309457 |
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