In silico analysis of the sequence and structure alterations of RBD-SARS-CoV-2, which affect its complementarity by IgG-antiRBD neutralizing antibodies

Grados-Torrez, Ricardo Enrique; Osco Callisaya, Leny Miroslava; Ramos Torrez, Pamela Belen; Chavez Alanoca, Aryana Aleyda; Vila Miranda, Esther Belen; Vásquez Michel, Aneth

doi:10.47993/gmb.v46i2.664

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Gaceta Médica Boliviana

Print version ISSN 1012-2966On-line version ISSN 2227-3662

Abstract

GRADOS-TORREZ, Ricardo Enrique et al. In silico analysis of the sequence and structure alterations of RBD-SARS-CoV-2, which affect its complementarity by IgG-antiRBD neutralizing antibodies. Gac Med Bol [online]. 2023, vol.46, n.2, pp.76-80. Epub Dec 01, 2023. ISSN 1012-2966. https://doi.org/10.47993/gmb.v46i2.664.

Anti-SARS-CoV-2 vaccines induce the production of IgG neutralizing antibodies against the Receptor Binding Domain of the S protein of the virus (IgG-antiRBD). In Bolivia, Sinopharm and Sputnik V were widely used vaccines during the pandemic. However, the mutations and changes suffered in SARS-CoV-2 were responsible for the new contagion outbreaks.

Objective:

To determine the sequence and structure alterations of RBD-SARS-CoV-2, which affect its complementarity by IgG-antiRBD neutralizing antibodies.

Material and Methods:

The sequences and crystallographic structures of RBD-SARS-CoV-2 were obtained from the Protein Data Bank database. For Multiple Sequence Alignment and Structural Alignment, Mega6 and Chimera1.15 were used.

Results:

The Multiple Sequence Alignment and Structural Alignment of the main epidemiological variants of SARS-CoV-2 showed that krakenXBB1.5 was the most divergent at the sequence level, while omicronBA2.75 presented more structural changes and greater steric hindrances when interacting with IgG-antiRBD, being the most contagious and most evasive to the immune response.

Conclusions:

The use of bioinformatics tools for monitoring the molecular changes of SARS-CoV-2 make it possible to predict the epidemiological behavior of new emerging variants and also promote improvement in prevention criteria

Keywords : molecular biology; biotechnology; immunology; mutation; SARS-CoV-2.

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