The rapidly evolving Coronavirus 2019 (COVID-19) pandemic has led to millions of deaths
around the world, highlighting the pressing need to develop effective antiviral …

Introduction Covalent drugs have been used for more than hundred years, but gathered
larger interest in the last two decades. There are currently over a 100 different electrophilic …

The coronavirus SARS-CoV-2 main protease, Mpro, is conserved among coronaviruses with
no human homolog and has therefore attracted significant attention as an enzyme drug …

Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of
the devastating global COVID-19 pandemic announced by WHO in March 2020. Through …

A new Schiff base, 4-((1E, 2E)-3-(furan-2-yl) allylidene) amino)-N-(5-methylisoxazol-3-yl)
benzene-sulfonamide (L), was synthesized by thermal condensation of 3-(2-furyl) acrolein …

The outbreak caused by SARS-CoV-2 has received extensive worldwide attention. As the
main protease (Mpro) in SARS-CoV-2 has no human homologues, it is feasible to reduce …

The SARS-CoV-2 pandemic has prompted global efforts to develop therapeutics. The main
protease of SARS-CoV-2 (Mpro) and the papain-like protease (PLpro) are essential for viral …

The recent ascent of targeted covalent inhibitors (TCI) in drug discovery brings new
opportunities and challenges to quantum chemical reactivity calculations supporting …

Targeted covalent inhibitors (TCIs) bind to their targets in both covalent and noncovalent
modes, providing exceptionally high affinity and selectivity. These inhibitors have been …