Structural Insights Into SARS-CoV-2 Spike Protein and Its Natural Mutants Found in Mexican Population

The study investigated the structural impact of three mutations (H49Y, D614G, and T573I) in the SARS-CoV-2 spike protein found in the Mexican population. Using molecular dynamic simulations and molecular docking, it was determined that these mutations significantly altered the structural behavior of the spike protein compared to the wild type. This alteration also affected the binding efficacy of inhibitors such as cepharanthine, nelfinavir, and hydroxychloroquine. The findings suggested that further experimental studies were necessary to determine the clinical implications of these mutations on drug binding and effectiveness.