Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2
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 prote...
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| Formato: | Research protocol information |
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2020-04-10
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| Acceso en línea: | https://doi.org/10.3390/v12040428 https://hdl.handle.net/20.500.12663/1204 |
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He, Jiahua et al. 2020-04-24T18:03:13Z 2020-04-24T18:03:13Z 2020-04-10 https://doi.org/10.3390/v12040428 https://hdl.handle.net/20.500.12663/1204 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. English COVID-19 Coronavirus Infectious Diseases SARS-CoV-2 Molecular Structure Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 Viruses Others Virus: natural history, transmission and diagnostics Research protocol information Save Lives / Salvar Vidas |
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Organización Panamericana de la Salud |
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Organización Panamericana de la Salud |
| title |
Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 |
| spellingShingle |
Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 He, Jiahua et al. COVID-19 Coronavirus Infectious Diseases SARS-CoV-2 Molecular Structure |
| title_short |
Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 |
| title_full |
Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 |
| title_fullStr |
Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 |
| title_full_unstemmed |
Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 |
| title_sort |
molecular mechanism of evolution and human infection with sars-cov-2 |
| author |
He, Jiahua et al. |
| author_facet |
He, Jiahua et al. |
| topic |
COVID-19 Coronavirus Infectious Diseases SARS-CoV-2 Molecular Structure |
| topic_facet |
COVID-19 Coronavirus Infectious Diseases SARS-CoV-2 Molecular Structure |
| publishDate |
2020-04-10 |
| format |
Research protocol information |
| description |
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.
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| url |
https://doi.org/10.3390/v12040428 https://hdl.handle.net/20.500.12663/1204 |
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AT hejiahuaetal molecularmechanismofevolutionandhumaninfectionwithsarscov2 |
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