SARS-CoV-2 proteins show great binding affinity to resin composite monomers and polymerized chains

doi:10.5493/wjem.v15.i1.94022

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World Journal of Experimental Medicine

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World J Exp Med. Mar 20, 2025; 15(1): 94022
Published online Mar 20, 2025. doi: 10.5493/wjem.v15.i1.94022

SARS-CoV-2 proteins show great binding affinity to resin composite monomers and polymerized chains

Pedro Henrique Sette-de-Souza, Moan Jéfter Fernandes Costa, Boniek Castillo Dutra Borges

Pedro Henrique Sette-de-Souza, Moan Jéfter Fernandes Costa, Faculdade de Odontologia, Universidade de Pernambuco-campus Arcoverde, Arcoverde 56503-146, Pernambuco, Brazil

Pedro Henrique Sette-de-Souza, Programa de Pós-Graduação em Saúde e Desenvolvimento Socioambiental, Universidade de Pernambuco-campus Garanhuns, Garanhuns 55294-902, Pernambuco, Brazil

Moan Jéfter Fernandes Costa, Programa de Pós-Graduação em Biologia Celular e Molecular Aplicada, Universidade de Pernambuco-campus Santo Amaro, Recife 50100-130, Pernambuco, Brazil

Boniek Castillo Dutra Borges, Department of Odontologia, Universidade Federal do Rio Grande do Norte, Natal 59056-000, Rio Grande do Norte, Brazil

Boniek Castillo Dutra Borges, Programa de Pós-Graduação em Ciências Odontológicas, Universidade Federal do Rio Grande do Norte, Natal 59056-000, Rio Grande do Norte, Brazil

Author contributions: Sette-de-Souza PH, Fernandes Costa MJ and Dutra Borges BC designed, performed the experiments, acquired, analyzed, and interpreted the data; all of the authors wrote the manuscript and approved the final version of the article.

Supported by The Coordenação de Aperfeiçoamento de Pessoal de Nível Superior-Brasil (CAPES), No. 001.

Conflict-of-interest statement: All authors declare no conflict of interest in publishing the manuscript.

Data sharing statement: Request to the corresponding author.

Corresponding author: Pedro Henrique Sette-de-Souza, DDS, MSc, PhD, Full Professor, Faculdade de Odontologia, Universidade de Pernambuco-campus Arcoverde, Rua Cícero Monteiro de Melo, s/n-São Cristóvão, Arcoverde/PE, Arcoverde 56503-146, Pernambuco, Brazil. pedro.souza@upe.br

Received: March 10, 2024
Revised: October 3, 2024
Accepted: October 30, 2024
Published online: March 20, 2025
Processing time: 291 Days and 7.6 Hours

Abstract

BACKGROUND

Due to saliva and salivary glands are reservoir to severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), aerosols and saliva droplets are primary sources of cross-infection and are responsible for the high human–human transmission of SARS-CoV-2. However, there is no evidence about how SARS-CoV-2 interacts with oral structures, particularly resin composites.

AIM

To evaluate the interaction of SARS-CoV-2 proteins with monomers present in resin composites using in silico analysis.

METHODS

Four SARS-CoV-2 proteins [i.e. main protease, 3C-like protease, papain-like protease (PLpro), and glycoprotein spike] were selected along with salivary amylase as the positive control, and their binding affinity with bisphenol-A glycol dimethacrylate, bisphenol-A ethoxylated dimethacrylate, triethylene glycol dimethacrylate, and urethane dimethacrylate was evaluated. Molecular docking was performed using AutoDock Vina and visualised in Chimera UCSF 1.14. The best ligand–protein model was identified based on the binding energy (ΔG–kcal/moL).

RESULTS

Values for the binding energies ranged from -3.6 kcal/moL to -7.3 kcal/moL. The 3-monomer chain had the lowest binding energy (i.e. highest affinity) to PLpro and the glycoprotein spike. Non-polymerised monomers and polymerised chains interacted with SARS-CoV-2 proteins via hydrogen bonds and hydrophobic interactions. Those findings suggest an interaction between SARS-CoV-2 proteins and resin composites.

CONCLUSION

SARS-CoV-2 proteins show affinity to non-polymerised and polymerised resin composite chains.

Keywords: Composite resins; COVID-19; SARS-CoV-2; Dental restorations; Molecular docking simulation; Dentistry

Core Tip: The severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) may interact with monomers of resin composites; triethylene glycol dimethacrylate has the smallest affinity with SARS-CoV-2 among monomers; bisphenol-A glycol dimethacrylate and bisphenol-A ethoxylated dimethacrylate show a remarkable affinity mainly with papain-like protease.