Structure-based study of immune receptors as eligible binding targets of coronavirus SARS-CoV-2 spike protein
| Autor: | Saeed Mobini, Elham Rismani, Ladan Mafakher, Elmira Rismani, Milad Chizari |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
XCR1
Protein domain ACE2 CCR9 Immune receptor Biology Article Chemokine receptor Immune system Protein Domains Lymphopenia Materials Chemistry Humans Physical and Theoretical Chemistry Binding site Receptor Spectroscopy Binding Sites SARS-CoV-2-binding receptors SARS-CoV-2 COVID-19 Homology modeling Computer Graphics and Computer-Aided Design Cell biology Spike Glycoprotein Coronavirus Molecular docking Protein Binding |
| Zdroj: | Journal of Molecular Graphics & Modelling |
| ISSN: | 1093-3263 |
| DOI: | 10.1016/j.jmgm.2021.107997 |
| Popis: | One of the most important challenges in the battle against contagious SARS-CoV-2 is subtle identification of the virus pathogenesis. The broad range of COVID-19 clinical manifestations may indicate diversity of virus-host cells. Amongst key manifestations, especially in severe COVID-19 patients, reduction and/or exhaustion of lymphocytes, monocytes, basophils, and dendritic cells are seen.; therefore, it is required to recognize that how the virus infects the cells. Interestingly, angiotensin-converting enzyme 2 (ACE2) as the well-known receptor of SARS-CoV-2 is low or non-expressed in these cells. Using computational approach, several receptor candidates including leukocyte surface molecules and chemokine receptors that expressed in most lineages of immune cells were evaluated as the feasible receptor of spike receptor-binding domain (RBD) of SARS-CoV-2. The results revealed the higher binding affinity of CD26, CD2, CD56, CD7, CCR9, CD150, CD4, CD50, XCR1 and CD106 compared to ACE2. However, the modes of binding and amino acids involved in the interactions with the RBD domain of spike were various. Overall, the affinity of immune receptor candidates in binding to SARS-CoV-2 RBD may offer insight into the recognition of novel therapeutic targets in association with COVID-19. Graphical abstract Image 1 |
| Databáze: | OpenAIRE |
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