In silico design of miniprotein to inhibit SARS-CoV-2 variant Omicron spike protein

• Published in: Physical chemistry chemical physics : PCCP Vol. 25; no. 21; pp. 14711 - 14725
• Main Authors: Wu, Jianhua, Zhang, Hong-Xing, Zhang, Jilong
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 31.05.2023
• Subjects: Affinity; Binding; Correlation analysis; Cross correlation; Free energy; Hydrogen bonds; Hydrophobicity; Inhibitors; Matrix methods; Molecular dynamics; Mutation; Principal components analysis; Proteins; Severe acute respiratory syndrome coronavirus 2
• ISSN: 1463-9076; 1463-9084; 1463-9084
• DOI: 10.1039/D3CP01167D

Omicron is a novel variant of SARS-CoV-2 that is currently spreading globally as the dominant strain. The virus first enters the host cell through the receptor binding domain (RBD) of the spike protein by interacting with the angiotensin-converting enzyme 2 (ACE2). Thus, the RBD protein is an ideal...