Role of changes in SARS-CoV-2 spike protein in the interaction with the human ACE2 receptor: An in silico analysis
Joseph T. Ortega, María Luisa Serrano, Flor H. Pujol, Héctor R. Rangel
Abstract
approach was performed, and changes were detected in the S1 subunit of the receptor-binding domain of spike. The observed changes have significant effect on SARS-CoV-2 spike/ACE2 interaction and produce a reduction in the binding energy, compared to the one of the Bat-CoV to this receptor. The data presented in this study suggest a higher affinity of the SARS-Cov-2 spike protein to the human ACE2 receptor, compared to the one of Bat-CoV spike and ACE2. This could be the cause of the rapid viral spread of SARS-CoV-2 in humans.
Topics & Concepts
Spike ProteinIn silicoSpike (software development)BiologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ReceptorBetacoronavirusProtein subunitCoronavirus disease 2019 (COVID-19)VirologyComputational biologyGeneticsMedicineGeneDiseaseInternal medicineInfectious disease (medical specialty)ManagementEconomicsSARS-CoV-2 and COVID-19 ResearchCOVID-19 Clinical Research StudiesViral Infections and Outbreaks Research