Publikationsdatenbank

ACE2-variants indicate potential SARS-CoV-2-susceptibility in animals:
a molecular dynamics study (2021)

Art

Zeitschriftenartikel / wissenschaftlicher Beitrag

Autoren

Pach, Szymon

Nguyen, Trung Ngoc

Trimpert, Jakob (WE 5)

Kunec, Dusan (WE 5)

Osterrieder, Nikolaus (WE 5)

Wolber, Gerhard

Quelle

Molecular Informatics

Bandzählung: 40

Heftzählung: 9

Seiten: Artikel 2100031

ISSN: 1868-1743

Sprache

Englisch

Verweise

URL (Volltext): https://onlinelibrary.wiley.com/doi/10.1002/minf.202100031

DOI: 10.1002/minf.202100031

Pubmed: 34378348

Kontakt

Institut für Virologie

Robert-von-Ostertag-Str. 7-13
14163 Berlin
+49 30 838 51833
virologie@vetmed.fu-berlin.de

Abstract / Zusammenfassung

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.