US scientists have discovered a new mechanism involved in the infection of SARS-COV-2 human cells. It turned out that the S-protein at the edges are glycans – molecules that function as a unlocking mechanism for the “gate” that contribute to infection. This is reported in the article published in the Nature Chemistry magazine.
Researchers with supercomputers were modeled as a molecular mechanism of cell hacking functions. Glican N343 switches the receptor-binding domain (RBD) S-protein into the open position. If the glycan “scrap” is blocked in a closed position, it will prevent the penetration of coronavirus into the cell. Thus, “N343” is a kind of rod that moves the RBD from the “Down” position to the “Up” position, providing access to the Ace2 host receptor.
Computer modeling was first conducted on COMET in a supercomputer center at the University of California in San Diego, and then on Longhorn in the Texas center of advanced computing in Austin. Such computational power allowed researchers to analyze RBD functioning at an atomic level with more than 300 points of view.