ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics Study

Overview

Journal Mol Inform

Specialties Biochemistry
Biology
Chemistry
Molecular Biology

Date 2021 Aug 11

PMID 34378348

Citations 10

Authors

Szymon Pach

Trung Ngoc Nguyen

Jakob Trimpert

Dusan Kunec

Nikolaus Osterrieder

Gerhard Wolber

Affiliations

Soon will be listed here.

Abstract

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) continues to be a global threat, causing millions of deaths worldwide. SARS-CoV-2 is an enveloped virus with spike (S) glycoproteins conferring binding to the host cell's angiotensin-converting enzyme 2 (ACE2), which is critical for cellular entry. The host range of the virus extends well beyond humans and non-human primates. Natural and experimental infections have confirmed the high susceptibility of cats, ferrets, and Syrian hamsters, whereas dogs, mice, rats, pigs, and chickens are refractory to SARS-CoV-2 infection. To investigate the underlying reason for the variable susceptibility observed in different species, we have developed molecular descriptors to efficiently analyse dynamic simulation models of complexes between SARS-CoV-2 S and ACE2. Our extensive analyses represent the first systematic structure-based approach that allows predictions of species susceptibility to SARS-CoV-2 infection.

Citing Articles

Variations in Cell Surface ACE2 Levels Alter Direct Binding of SARS-CoV-2 Spike Protein and Viral Infectivity: Implications for Measuring Spike Protein Interactions with Animal ACE2 Orthologs.

Kazemi S, Lopez-Munoz A, Holly J, Jin L, Yewdell J, Dolan B J Virol. 2022; 96(17):e0025622.

PMID: 36000847 PMC: 9472623. DOI: 10.1128/jvi.00256-22.

Investigating SARS-CoV-2 Susceptibility in Animal Species: A Scoping Review.

Rutherford C, Kafle P, Soos C, Epp T, Bradford L, Jenkins E Environ Health Insights. 2022; 16:11786302221107786.

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De Novo-Whole Genome Assembly of the Roborovski Dwarf Hamster (Phodopus roborovskii) Genome: An Animal Model for Severe/Critical COVID-19.

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PMID: 35778793 PMC: 9254642. DOI: 10.1093/gbe/evac100.

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.

Gao K, Wang R, Chen J, Cheng L, Frishcosy J, Huzumi Y Chem Rev. 2022; 122(13):11287-11368.

PMID: 35594413 PMC: 9159519. DOI: 10.1021/acs.chemrev.1c00965.

Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses.

Watanabe C, Okiyama Y, Tanaka S, Fukuzawa K, Honma T Chem Sci. 2022; 12(13):4722-4739.

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