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Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida , Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme.

Nicole E AvalonJordan NafieCarolina De Marco VerissimoLuke C WarrensfordSarah G DietrickAmanda R PittmanRyan M YoungFiona L KearnsTracess SmalleyJennifer M BinningJohn P DaltonMark P JohnsonH Lee WoodcockA Louise AllcockBill J Baker
Published in: Journal of natural products (2022)
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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