The SARS-CoV-2 exerts a distinctive strategy for interacting with the ACE2 human receptor

Abstract:

The COVID-19 disease has plagued over 110 countries and has resulted in over 4,000 deaths within 10 weeks. We compare the interaction between the human ACE2 receptor and the SARS-CoV-2 spike protein with that of other pathogenic coronaviruses using molecular dynamics simulations. SARS-CoV, SARS-CoV-2, and HCoV-NL63 recognize ACE2 as the natural receptor but present a distinct binding interface to ACE2 and a different network of residue-residue contacts. SARS-CoV and SARS-CoV-2 have comparable binding affinities achieved by balancing energetics and dynamics. The SARS-CoV-2–ACE2 complex contains a higher number of contacts, a larger interface area, and decreased interface residue fluctuations relative to SARS-CoV. These findings expose an exceptional evolutionary exploration exerted by coronaviruses toward host recognition. We postulate that the versatility of cell receptor binding strategies has immediate implications on therapeutic strategies.

SEEK ID: https://fairdomhub.org/publications/467

DOI: 10.1101/2020.03.10.986398

Projects: COVID-19 Disease Map

Publication type: Tech report

Citation: biorxiv;2020.03.10.986398v1,[Preprint]

Date Published: 12th Mar 2020

URL: http://biorxiv.org/lookup/doi/10.1101/2020.03.10.986398

Registered Mode: imported from a bibtex file

Authors: Esther S. Brielle, Dina Schneidman-Duhovny, Michal Linial

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Brielle, E. S., Schneidman-Duhovny, D., & Linial, M. (2020, March 12). The SARS-CoV-2 exerts a distinctive strategy for interacting with the ACE2 human receptor. []. Cold Spring Harbor Laboratory. http://doi.org/10.1101/2020.03.10.986398
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Created: 8th Apr 2020 at 22:13

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