Collaborative effects of 2019-nCoV-Spike mutants on viral infectivity.

ABSTRACT:

Background

The emerging mutants of the 2019-nCoV coronavirus are posing unprecedented challenges to the pandemic prevention. A thorough, understanding of the mutational characterization responsible for the pathogenic mechanisms of mutations in 2019-nCoV-Spike is indispensable for developing effective drugs and new vaccines.

Methods

We employed computational methods and viral infection assays to examine the interaction pattern and binding affinity between ACE2 and both single- and multi-mutants of the Spike proteins.

Results

Using data from the CNCB-NGDC databank and analysis of the 2019-nCoV-Spike/ACE2 interface crystal structure, we identified 31 amino acids that may significantly contribute to viral infectivity. Subsequently, we performed molecular dynamics simulati

SUBMITTER: Fang S 

PROVIDER: S-EPMC10618117 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature