Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida , Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme
Year: 2022
Type: review
Abstract: 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.
Source: Journal of Natural Products
Language: English
Subfield: Biotechnology
Domain: Life Sciences
Open Access status: hybrid
Estimated APC paid: $5,000
Awards: G1483802566, G1888088267, G297749360, G5514976981, G5881380420, Rapid ELISA test for SARS-CoV-2 (coronavirus) disease detection and surveillance, G7712668395, Natural Product Derived Inhibitors of ESKAPE Pathogens, Design and application ofrobust and efficient QM/MM free energy simulation methods for biomolecular systems
OpenAlex ID: W4280540831