The outbreak of the COVID-19 pandemic is unarguably the biggest catastrophe of the 21st
century, probably the most significant global crisis after the second world war. The rapid …

Highlights•Repurposing existing drugs for new diseases is cost effective and time saving.•In
silico methods are crucial for rapid drug screening in the early stages.•Machine learning …

Computationally identifying new targets for existing drugs has drawn much attention in drug
repurposing due to its advantages over de novo drugs, including low risk, low costs, and …

The outbreak of COVID-19 caused by SARS-coronavirus (CoV)-2 has made millions of
deaths since 2019. Although a variety of computational methods have been proposed to …

Background A new coronavirus disease named COVID-19, caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2), is rapidly spreading worldwide …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection continues to be a
serious global public health threat. The 3C-like protease (3CLpro) is a virus protease …

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 COVID-19 pandemic has emerged as a global medico-socio-economic disaster. Given
the lack of effective therapeutics against SARS-CoV-2, scientists are racing to disseminate …

D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has
altered some crucial characteristics of coronaviruses, such as rate of infection and binding …

Molecular docking is a structure-based computational method that generates the binding
pose and affinity between ligands and targets. There are many powerful docking programs …