Health
Understand mutations that may be COVID-19 infections
This schematic shows the difference in interaction between SARS-CoV and human ACE2 and SARS-CoV-2 and human ACE2.Credits: Ratul Chowdhury, Pennsylvania
Binding of SARS-CoV-2 viral surface protein spikes (projections from globular virus particles) to the human cell surface protein ACE2 is the first step towards infection that can lead to COVID-19 disease. Researchers at Penn State University have calculated and evaluated how changes in virus spike composition affect binding to ACE2 and compared the results with those of the original SARS-CoV virus (SARS).
The researcher’s original manuscript preprint, which became available online in March, was one of the first to computationally investigate SARS-CoV-2. High affinity, Or the tendency to bind to human ACE2. This treatise was published online on September 18th. Computational and Structural Biotechnology Journal.. This work was conceived and led by Costas Maranas, Professor Donald B. Broughton of the Department of Chemical Engineering, and his former graduate student, Raturchodley, who is now a postdoctoral fellow at Harvard Medical School.
“We were interested in answering two important questions,” said Veda Sheersh Boorla, a PhD student in chemical engineering and co-author of the treatise. “We first wanted to identify the key structural changes that make COVID-19 higher. Affinity Assess the potential affinity for livestock or other animal ACE2 proteins for human ACE2 proteins when compared to SARS. “
Researchers have computerized the attachment of SARS-CoV-2 protein spikes to ACE2. ACE2 is located in the upper respiratory tract and serves as a gateway to other coronaviruses, including SARS. The team used a molecular modeling approach to calculate the binding strength and interaction of viral proteins to ACE2.
The team has SARS-CoV-2 spikes protein Highly optimized to bind to human ACE2. According to Chowdhury, bat, bovine, chicken, horse, cat, and dog homologous ACE2 protein attachment simulations have the highest affinity for bat and human ACE2, with affinity for cats, horses, dogs, cows, and chickens. The sex value was low.
“Beyond the explanation Molecular mechanism For binding with ACE2, Virus Spikes that can change the affinity of humans with ACE2. ” Chowdhury, who received his PhD in chemical engineering from Pennsylvania State University in the fall of 2019, said.
Understanding the binding behavior of viral spikes to ACE2 and the viral resistance of these structural spike changes may be useful for future studies on vaccine durability and the potential for virus spread to other species.
“The computational workflow we have established should be able to handle invasion mechanisms through other receptor binding to other viruses that may occur in the future,” says Chowdhury.
Ratul Chowdhury et al, Computational Biophysical Properties and Infectivity Effects of SARS-CoV-2 Spike Protein Binds to ACE2 Receptor, Computational and Structural Biotechnology Journal (2020). DOI: 10.1016 / j.csbj.2020.09.019
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Quote: Https: //phys.org/news/2020-12-covid-infection-mutations.html Mutation considered to be COVID-19 infection obtained on December 9, 2020 (December 9, 2020) To understand the
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