The value of electrostatic potentials of the spike receptor binding and N-terminal domains in addressing transmissibility and infectivity of SARS-CoV-2 variants of concern - 05/05/22
Doi : 10.1016/j.jinf.2022.02.023
Stefano Pascarella a, Massimo Ciccozzi b, Martina Bianchi a, Domenico Benvenuto b, Roberto Cauda c, Antonio Cassone d, ⁎ 
a Department of Biochemical Sciences “A Rossi Fanelli”, Sapienza Università di Roma, Rome, Italy
b Medical Statistic and Molecular Epidemiology Unit, University of Biomedical Campus, Rome, Italy
c Department of Healthcare Surveillance and Bioethics, Catholic University of Sacred Heart, Rome, Italy
d Center of Genomics, Genetics and Biology, Siena, Italy
⁎Corresponding author.
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Highlights |
• | The net surface charge(EP) of SARS-CoV-2 (S) RBD and NTD are generally positive. |
• | The EP of SARS-CoV-2 (S) RBD increases in keeping with variants transmissibility. |
• | Omicron B.A1 variant has the highest EP of SARS-CoV-2 (S) RBD. |
• | Omicron B.A1 is the only variant with a negative EP of (S) NTD. |
Graphical abstract |
Comparison of the surface electrostatic potential of the N-terminal (NTD) and the Receptor Binding Domains (RBD) of the Wuhan and Omicron Spikes. The entire Spikes are represented with transparent ribbon models. Only the NTD and RBD surfaces of the chain A are represented. Domain net charges are reported within parenthesis beside the domain labels. Surface color ranges from -5.0 (red) to + 5.0 (blue) kT/e.
Abbreviations : EPrbd, EPntd
© 2022
Publié par Elsevier Masson SAS.
Vol 84 - N° 5
P. e62-e63 - mai 2022 Retour au numéro
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