Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

The Coronavirus disease-19 (COVID-19) pandemic is still devastating the world causing
significant social, economic, and political chaos. Corresponding to the absence of globally …

The main proteases (Mpro), also termed 3‐chymotrypsin‐like proteases (3CLpro), are a
class of highly conserved cysteine hydrolases in β‐coronaviruses. Increasing evidence has …

Severe acute respiratory syndrome-associated coronavirus (SARS-CoV) identified in 2003
infected∼ 8000 people in 26 countries with 800 deaths, which was soon contained and …

Caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), COVID-19 is a
virus-induced inflammatory disease of the airways and lungs that leads to severe multi …

The uncontrolled spread of the COVID-19 pandemic caused by the new coronavirus SARS-
CoV-2 during 2020–2021 is one of the most devastating events in the history, with …

The main protease of SARS‐CoV‐2 (Mpro), the causative agent of COVID‐19, constitutes a
significant drug target. A new fluorogenic substrate was kinetically compared to an internally …

Predicting protein–ligand binding affinity is a central issue in drug design. Various deep
learning models have been published in recent years, where many of them rely on 3D …

For fluorogenic probes, Förster resonance energy transfer (FRET) is one of the most widely
used mechanisms to realize the detection of biochemical activities. Dark quenchers relax …

While vaccines remain at the forefront of global healthcare responses, pioneering
therapeutics against SARS-CoV-2 are expected to fill the gaps for waning immunity. Rapid …