An international team of scientists from the United States and Ireland has discovered that glycans that are associated with the coronavirus S-protein play an active role in the penetration of the virus into human cells. The discovery, which will help develop new ways to combat the pandemic, is reported in an article published in the journal ACS Central Science.
The researchers modeled the molecular dynamics of the S-protein embedded in the viral membrane. The S-protein interacts with the ACE2 receptor located on the surface of human cells. However, before this, it changes its shape, exposing the receptor-binding domain. The S-protein is also coated with glycans, sugar molecules that protect components of the virus from the host's immune system.
Computer simulations have shown that N-glycans help stabilize the open receptor-binding domain configuration, facilitating infection. According to the experimental results, modified S-proteins, which lacked glycans, bind worse to ACE2. Also, experts have identified areas of the protein not covered with glycans, which are a convenient target for antibodies.
