The disease caused by the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV2), also known as COVID-19, became a worldwide public health emergency in December 2019 and has infected millions of people, with more new infections every day. Previously published studies on COVID-19 by the World Health Organization (WHO), shows that both SARS-CoV-2 and a previous similar virus, SARS-CoV, both enter human host cells by using their Spike proteins to bind the angiotensin-converting enzyme 2 (ACE2) receptor. The ACE2 receptor is expressed on the outside of many human cells, and upon binding the virus will enter the cell and begin to replicate, leading to infection. This project uses coarse-grained unfolding simulations to study the mechanical stability of the SARS-CoV and SARS-CoV2 Spike protein domain that binds ACE2 (Spike-RBD). Images from the simulations as well as the force required to unfold the proteins will be presented. Our results will add to the growing data on the SARS-CoV2 virus, which will hopefully benefit medical research.

Unfolding of the SARS-CoV and SARS-CoV2 Spike protein receptor binding domain

ACS Spring 2022

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