The emergence of SARS-CoV-2 causing the COVID-19 pandemic, has highlighted how a
combination of urgency, collaboration and building on existing research can enable rapid …

Since its outbreak in late 2019, the COVID-19 pandemic has drawn enormous attention
worldwide as a consequence of being the most disastrous infectious disease in the past …

The main protease (M pro) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) is a key enzyme, which extensively digests CoV replicase polyproteins essential for viral …

Since December 2019, the pandemic of coronavirus disease 2019 (COVID-19) has taken a
heavy toll on global health, creating an urgent need to develop effective strategies for …

Recurring coronavirus outbreaks, such as the current COVID-19 pandemic, establish a
necessity to develop direct-acting antivirals that can be readily administered and are active …

This review makes a critical evaluation of 61 peer‐reviewed manuscripts that use a docking
step in a virtual screening (VS) protocol to predict SARS‐CoV‐2 M‐pro (M‐pro) inhibitors in …

The host cell serine protease TMPRSS2 is an attractive therapeutic target for COVID-19 drug
discovery. This protease activates the Spike protein of severe acute respiratory syndrome …

In recent decades, several viruses have resulted in large outbreaks with serious health,
economic and social consequences. The current unprecedented outbreak of the new …

Abstract Coronavirus disease 2019 (COVID-19) is a recent pandemic that caused serious
global emergency. To identify new and effective therapeutics, we employed a drug …

Parallel cascade selection molecular dynamics-based ligand binding-path sampling (LB-
PaCS-MD) was combined with fragment molecular orbital (FMO) calculations to reveal the …