Designing Self-Inhibitory fusion peptide analogous to viral spike protein against novel severe acute respiratory syndrome (SARS-CoV-2). Issue 21 (5th December 2022)

• Record Type: Journal Article
• Authors: Singh, Indra; Singh, Shalini; Ojha, Krishna Kumar; Yadav, Neetu Singh
• Is Part Of: Journal of biomolecular structure & dynamics. Volume 40:Issue 21(2022)
• Page Start: 11357
• Page End: 11372
• Publication Date: 2022-12-05
• Subjects: Covid-19 -- SARS-CoV-2 -- Spike protein -- Inhibitory peptides -- WWIHS; Biomolecules -- Periodicals; Molecular structure -- Periodicals; Molecular Biology -- Periodicals; Biomechanics -- Periodicals; 572
• DOI: 10.1080/07391102.2021.1960192
• Languages: English
• ISSNs: 0739-1102

Abstract

Abstract: COVID-19 is a highly contagious viral infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which is declared pandemic by the World Health Organization (WHO). The spike protein of SARS-CoV-2 is a key component playing a pivotal role in facilitating viral fusion as well as release of genome into the host cell. Till date there is no clinically approved vaccine or drug available against Covid-19. We designed four hydrophobic inhibitory peptides (ITPs) based on WWIHS (Wimley and White interfacial hydrophobicity scale) score, targeting the HR1 domain of spike protein. Two inhibitory peptides out of four have a strong affinity to the hydrophobic surface of HR1 domain in pre-fusion spike protein. The MD simulation result showed the strong accommodation of ITPs with HR1 domain surface. These self-inhibitory peptides mimic the function of HR2 by binding to HR1 domain, thus inhibiting the formation of HR1-HR2 post-fusion complex, which is a key structure for virus-host tropism. Communicated by Ramaswamy H. Sarma Abstract : UF0001 Proposed mechanism of inhibitory peptides against Covid-19.