Numbercrunching to find a stable target for inhibiting the SARS-CoV-2 virus

The heart-shaped SARS-CoV-2 main protease
 consists of two protomers (blue and grey),
and is involved in processing viral polyproteins
A prototypical small molecule inhibitor (yellow)
is docked to the active site of the protease.

In the absence of a vaccine or an approved effective therapy against COVD-19, there is an interest in repositioning existing drugs or developing new inhibitors against viral targets.

A collaborative project between Monash and RMIT Universities is aimed at identifying and validating small molecules that can interact with or inhibit the active site of the SARS-CoV-2 main protease.