Tóm tắt:

The COVID-19 pandemic is ongoing and spreading around the world, which means a continuous increase in the number of infections and death. SARS-CoV-2 constantly rapidly stored mutation in the Spike gene to adapt with the host cell. The Spike gene encoded spike protein directly interacts with hACE2 on the human cell surface. Herein, using the network centrality and molecular docking approaches, we detected key mutations that positively affect spike protein. Based on network centrality, we demonstrate that the A23403G (D614G) mutation in the Spike gene is the center of a network which means this mutation has a positive effect on the virus. In addition, analyzing the interaction of spike protein with hACE2, we highlighted that the mutation appeared in the RBD region by changing the electrostatic energy of the complex.