Structure‐Activity Studies Reveal Scope for Optimisation of Ebselen‐Type Inhibition of SARS‐CoV‐2 Main Protease

The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID‐19) and other diseases. We report structure‐activity studies on sulfur analogues of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS‐CoV‐2) main protease (M(pro))...

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Detalles Bibliográficos
Autores principales: Thun‐Hohenstein, Siegfried T. D., Suits, Timothy F., Malla, Tika R., Tumber, Anthony, Brewitz, Lennart, Choudhry, Hani, Salah, Eidarus, Schofield, Christopher J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9015279/
https://www.ncbi.nlm.nih.gov/pubmed/34850566
http://dx.doi.org/10.1002/cmdc.202100582
Descripción
Sumario:The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID‐19) and other diseases. We report structure‐activity studies on sulfur analogues of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS‐CoV‐2) main protease (M(pro)), employing turnover and protein‐observed mass spectrometry‐based assays. The results reveal scope for optimisation of ebselen/ebselen derivative‐ mediated inhibition of M(pro), particularly with respect to improved selectivity.

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