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.
| Original language | English (Ireland) |
|---|---|
| Pages (from-to) | 1315-1323 |
| Number of pages | 8 |
| Journal | Journal of Natural Products |
| Volume | 85 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 1 May 2022 |
Authors (Note for portal: view the doc link for the full list of authors)
- Authors
- Avalon, Nicole E. and Nafie, Jordan and Verissimo, Carolina De Marco and Warrensford, Luke C. and Dietrick, Sarah G. and Pittman, Amanda R. and Young, Ryan M. and Kearns, Fiona L. and Smalley, Tracess and Binning, Jennifer M. and Dalton, John P. and Johnson, Mark P. and Woodcock, H. Lee and Allcock, A. Louise and Baker, Bill J.
