International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(5), P. 2585 - 2585
Published: Feb. 23, 2024
A critical determinant of infectivity and virulence the most infectious or lethal variants concern (VOCs): Wild Type, Delta Omicron is related to binding interactions between receptor-binding domain spike its host receptor, initial step in cell infection. It utmost importance understand how mutations a viral strain, especially those that are spike, affect resulting emerging VOC, knowledge could help us variant inform therapies applied vaccines developed. For this sake, we have battery computational protocols increasing complexity calculation affinity for three ACE2 receptor. The results clearly illustrate attachment spikes receptor originates through different molecular interaction mechanisms. All our unanimously predict has highest affinity, while displays substantial variability relates structural plasticity spike-receptor complex. We suggest latter result explain (at least part) vitro VOC led reason lower as compared earlier strains. Several hypotheses been developed around subject.
Language: Английский