Since 2020, many compounds have been investigated for their potential use in the treatment
of SARS-CoV-2 infection. Among these agents, a huge number of natural products and FDA …

The main protease (Mpro) of SARS-CoV-2 is critical for viral function and a key drug target.
Mpro is only active when reduced; turnover ceases upon oxidation but is restored by re …

Cathepsins (Cats) are proteases that mediate the successful entry of SARS-CoV-2 into host
cells. We designed and synthesized a tailored series of 21 peptidomimetics and evaluated …

Drug discovery and design challenges, such as drug repurposing, analyzing protein–ligand
and protein–protein complexes, ligand promiscuity studies, or function prediction, can be …

Emerging RNA viruses, including SARS-CoV-2, continue to be a major threat. Cell entry of
SARS-CoV-2 particles via the endosomal pathway involves cysteine cathepsins. Due to …

SARS-CoV-2 and its variants are crossing the immunity barrier induced through vaccination.
Recent Omicron sub-variants are highly transmissible and have a low mortality rate. Despite …

Figure S1. Crystal morphology of Mpro crystallized in two space groups, grown under the
same conditions but with different seeds.(A, B) Reduced Mpro crystals in the monoclinic (C2) …