Research reveals that the ability of new coronavirus to bind to the human body is stronger than SARS
Medical line fax
Science and Technology Daily News (Reporter Chen Xi, Correspondent Zhao Hui) A reporter learned from Tianjin University on February 24 that the research team of Professor Gao Feng, director of the Bioinformatics Center of the school, revealed the relationship between the SARS coronavirus and the new coronavirus and human receptors through molecular dynamics simulations. The difference in binding characteristics at different temperatures provides useful guidance and reference for drug design.
The research was published online on February 22 in the top journal "Bioinformatics Bulletin" in the field of bioinformatics.
The successful invasion of cells by SARS virus and new coronavirus mainly depends on the interaction between the receptor binding domain (RBD) of the spike protein (S protein) and the human receptor angiotensin converting enzyme 2 (ACE2).
Since the outbreak of the new crown pneumonia, scientists have conducted a lot of research on the interaction between RBD and ACE2, but most of the research has been conducted at room temperature of about 27 degrees Celsius.
Temperature is an important factor that affects the infectivity of the virus. This time, Professor Gao Feng's research group revealed the difference in the binding characteristics of RBD and ACE2 between the SARS virus and the new coronavirus at different temperatures.
Based on the equilibrium trajectory of molecular dynamics simulation, Professor Gao Feng's research group found that the root mean square fluctuation (RMSF) value of the new coronavirus RBD at each selected temperature is lower than that of the SARS virus, and the conformational distribution is more concentrated, indicating that the new coronavirus RBD structure is more For stability.
In addition, the researchers also evaluated the binding strength of SARS virus and new coronavirus RBD and ACE2 at different temperatures, and found that the binding ability of new coronavirus RBD and ACE2 is stronger than SARS virus at any selected temperature.
Finally, they also focused on the analysis of the key residues that led to the difference in the binding of RBD and ACE2 between the SARS virus and the new coronavirus, which provided useful guidance and reference for subsequent related drug design.