Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain.

Pitsillou, Eleni; Liang, Julia J; Beh, Raymond C; Hung, Andrew; Karagiannis, Tom C

Pitsillou, Eleni; Liang, Julia J; Beh, Raymond C; Hung, Andrew; Karagiannis, Tom C.

Afiliação

Pitsillou E; Epigenomic Medicine, Department of Diabetes, Central Clinical School, Monash University, Melbourne, VIC, 3004, Australia; School of Science, STEM College, RMIT University, VIC, 3001, Australia.
Liang JJ; Epigenomic Medicine, Department of Diabetes, Central Clinical School, Monash University, Melbourne, VIC, 3004, Australia; School of Science, STEM College, RMIT University, VIC, 3001, Australia.
Beh RC; Epigenomic Medicine, Department of Diabetes, Central Clinical School, Monash University, Melbourne, VIC, 3004, Australia; Department of Clinical Pathology, The University of Melbourne, Parkville, VIC, 3052, Australia.
Hung A; School of Science, STEM College, RMIT University, VIC, 3001, Australia.
Karagiannis TC; Epigenomic Medicine, Department of Diabetes, Central Clinical School, Monash University, Melbourne, VIC, 3004, Australia; Department of Clinical Pathology, The University of Melbourne, Parkville, VIC, 3052, Australia. Electronic address: karat@unimelb.edu.au.

Comput Biol Med ; 149: 106035, 2022 10.

Article em En | MEDLINE | ID: mdl-36055162

Assuntos

Enzima de Conversão de Angiotensina 2/química; SARS-CoV-2/química; Enzima de Conversão de Angiotensina 2/metabolismo; COVID-19/genética; Humanos; Simulação de Dinâmica Molecular; Mutação; Peptidil Dipeptidase A/genética; Peptidil Dipeptidase A/metabolismo; Ligação Proteica; SARS-CoV-2/genética; Glicoproteína da Espícula de Coronavírus/química; Glicoproteína da Espícula de Coronavírus/genética; Glicoproteína da Espícula de Coronavírus/metabolismo

Palavras-chave

ACE2 receptors; Delta variant; Omicron variant; SARS-CoV-2; Spike protein

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Enzima de Conversão de Angiotensina 2 / SARS-CoV-2 Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Revista: Comput Biol Med Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Austrália

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