Korupensamine A, but not its atropisomer, korupensamine B, inhibits SARS-CoV-2 in vitro by targeting its main protease (M(pro))

By combining docking and molecular dynamics simulations, we explored a library of 65 mostly axially chiral naphthylisoquinoline alkaloids and their analogues, with most different molecular architectures and structural analogues, for their activity against SARS-CoV-2. Although natural biaryls are oft...

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Detalles Bibliográficos
Autores principales: Sayed, Ahmed M., Ibrahim, Alyaa Hatem, Tajuddeen, Nasir, Seibel, Jürgen, Bodem, Jochen, Geiger, Nina, Striffler, Kathrin, Bringmann, Gerhard, Abdelmohsen, Usama Ramadan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Masson SAS. 2023
Materias:
Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9972725/
https://www.ncbi.nlm.nih.gov/pubmed/36893625
http://dx.doi.org/10.1016/j.ejmech.2023.115226

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