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Researchers at Washington State University (WSU) have discovered a way to prevent herpesviruses from entering human cells by targeting a single weak point in a key viral protein.
A multidisciplinary team used artificial intelligence (AI) and molecular simulations to identify a single amino acid in herpesvirus fusion proteins that is essential for the virus to fuse with and infect host cells, according to a press release published Monday.
“Viruses are very smart,” says study lead author Jin Liu, a professor in WSU's School of Mechanical and Materials Engineering. “There are a lot of interactions, some of them important. We found them.”
To uncover the key interactions, Liu and colleague Prashanta Dutta developed an algorithm that simulates thousands of amino acid interactions and used machine learning to identify the most important interactions.
After identifying the key amino acids, laboratory experiments led by Anthony Nicola of WSU's Department of Veterinary Microbial Pathology found that mutating certain components completely blocked the virus from entering cells.
“It was a single interaction from thousands of people,” Liu said. “If we had done this by trial and error, it could have taken years.”
This finding suggests a potential route for developing new antiviral therapies by disabling the virus before it infects cells.
The researchers are now aiming to understand how this small mutation affects the complete structure of the viral fusion protein.
“The next step is to see how this small interaction affects larger-scale structural changes,” Liu added.
The research was conducted by Liu, Dutta, Nicola, and doctoral students Ryan Odostsil, Albina Makio, and McKenna Hull. Funded by the National Institutes of Health.
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