Computational Study on the Function of Palmitoylation on the Envelope Protein in SARS-CoV-2.

ABSTRACT: SARS-CoV-2 that caused COVID-19 has spread since the end of 2019. Its major effects resulted in over four million deaths around the whole world by August 2021. Therefore, understanding virulence mechanisms is important to prevent future outbreaks and for COVID-19 drug development. The envelope (E) protein is an important structural protein, affecting virus assembly and budding. The E protein pentamer is a viroporin, serving as an ion transferring channel in cells. In this work, we applied molecular dynamic simulations and topological and electrostatic analyses to study the effects of palmitoylation on the E protein pentamer. The results indicate that the cation transferring direction is more from the lumen to the cytosol. The structure of the palmitoylated E protein pentamer is more stable

SUBMITTER: Sun S 

PROVIDER: S-EPMC8457325 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature