Structural genetics of circulating variants affecting the SARS-CoV-2 spike/human ACE2 complex.

ABSTRACT: SARS-CoV-2 entry in human cells is mediated by the interaction between the viral Spike protein and the human ACE2 receptor. This mechanism evolved from the ancestor bat coronavirus and is currently one of the main targets for antiviral strategies. However, there currently exist several Spike protein variants in the SARS-CoV-2 population as the result of mutations, and it is unclear if these variants may exert a specific effect on the affinity with ACE2 which, in turn, is also characterized by multiple alleles in the human population. In the current study, the GBPM analysis, originally developed for highlighting host-guest interaction features, has been applied to define the key amino acids responsible for the Spike/ACE2 molecular recognition, using four different crystallographic structure

SUBMITTER: Ortuso F 

PROVIDER: S-EPMC7885719 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature