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.
【초록키워드】 SARS-CoV-2, metabolome, 3CLpro, protease, in silico, margin, Cold, water, Bioactivity, human disease, exploration, carbon, invertebrate, Continental margin, docking experiment, biochemical assay, collected, inhibit, was determined, representing, 【제목키워드】 inhibition, display, Coral, Meroterpene, Soft, the SARS-CoV-2,