dc.contributor.author | He, Jiahua et al. | |
dc.date.accessioned | 2020-04-24T18:03:13Z | |
dc.date.available | 2020-04-24T18:03:13Z | |
dc.date.issued | 2020-04-10 | |
dc.identifier.uri | https://doi.org/10.3390/v12040428 | en_US |
dc.identifier.uri | https://hdl.handle.net/20.500.12663/1204 | |
dc.description.abstract | The outbreak of a novel coronavirus, which was later formally named the severe acute respiratory coronavirus 2 (SARS-CoV-2), has caused a worldwide public health crisis. Previous studies showed that SARS-CoV-2 is highly homologous to SARS-CoV and infects humans through the binding of the spike protein to ACE2. Here, we have systematically studied the molecular mechanisms of human infection with SARS-CoV-2 and SARS-CoV by protein-protein docking and MD simulations. It was found that SARS-CoV-2 binds ACE2 with a higher affinity than SARS-CoV, which may partly explain that SARS-CoV-2 is much more infectious than SARS-CoV. In addition, the spike protein of SARS-CoV-2 has a significantly lower free energy than that of SARS-CoV, suggesting that SARS-CoV-2 is more stable and may survive a higher temperature than SARS-CoV. This provides insights into the evolution of SARS-CoV-2 because SARS-like coronaviruses have originated in bats. Our computation also suggested that the RBD-ACE2 binding for SARS-CoV-2 is much more temperature-sensitive than that for SARS-CoV. Thus, it is expected that SARS-CoV-2 would decrease its infection ability much faster than SARS-CoV when the temperature rises. These findings would be beneficial for the disease prevention and drug/vaccine development of SARS-CoV-2. | en_US |
dc.language | English | en_US |
dc.subject | COVID-19 | en_US |
dc.subject | Coronavirus | en_US |
dc.subject | Infectious Diseases | en_US |
dc.subject | SARS-CoV-2 | en_US |
dc.subject | Molecular Structure | en_US |
dc.title | Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 | en_US |
eihealth.country | Others | en_US |
eihealth.category | Virus: natural history, transmission and diagnostics | en_US |
eihealth.type | Research protocol information | en_US |
eihealth.maincategory | Save Lives / Salvar Vidas | en_US |
dc.relation.ispartofjournal | Viruses | en_US |