STUDY OF THE INHIBITION POTENTIAL OF REMDESIVIR DERIVATIVES ON MPRO OF SARS-COV-2

  • Aluísio Marques da Fonseca Mestrado Acadêmico em Sociobiodiversidades e Tecnologias Sustentáveis – MASTS, Instituto de Engenharias e Desenvolvimento Sustentável, Universidade da Integração Internacional da Lusofonia Afro-Brasileira, 62785-000, Acarape-CE, Brazil https://orcid.org/0000-0002-8112-9513
  • Antonio Luthierre Gama Cavalcante Instituto de Ciências Exatas e da Natureza, Universidade da Integração Internacional da Lusofonia Afro-Brasileira, 62785-000, Acarape-CE, Brazil https://orcid.org/0000-0001-5457-6521
  • Rubson Mateus Matos Carvalho Instituto de Ciências Exatas e da Natureza, Universidade da Integração Internacional da Lusofonia Afro-Brasileira, 62785-000, Acarape-CE, Brazil
  • Jeferson Falcão do Amaral Instituto de Ciências da Saúde, Universidade da Integração Internacional da Lusofonia AfroBrasileira, 62785-000, Acarape-CE, Brazil https://orcid.org/0000-0003-0426-0347
  • Regilany Paulo Colares Instituto de Ciências Exatas e da Natureza, Universidade da Integração Internacional da Lusofonia Afro-Brasileira, 62785-000, Acarape-CE, Brazil https://orcid.org/0000-0003-1670-1904
  • Emmanuel Silva Marinho Faculdade de Filosofia Dom Aureliano Matos - FAFIDAM, Universidade Estadual do Ceará, 62.930-000, Centro, Limoeiro do Norte-CE, Brazil https://orcid.org/0000-0002-4774-8775
  • Moises Maia Neto Curso de graduação em farmácia, Centro Universitário Fametro, 60010-260, Fortaleza-CE, Brazil https://orcid.org/0000-0002-9337-2043
Keywords: Affinity Energy, Ligand, Coronavirus, SARS-COV-2

Abstract

The emergence of the new coronavirus (SARS-COV-2) is known to trigger some common diseases in humans such as pneumonia and diarrhea, the search for appropriate therapy combat COVID-19 has been intense and exhaustive.

Motivation/Background: Thus, based on the rational study of drugs, a survey of potential ligands that can inhibit the vital protein in virus replication, the main protease (Mpro), has been carried out worldwide.

Method: In this battle, the antiviral Remdesivir, which was created to fight the Ebola virus, proved, through the molecular anchorage, to be quite effective against its target because it presented affinity energy far superior to its co-crystallized ligand.

Results: In this work, a study was carried out with Remdesivir and its derivatives, obtained in a zinc database15, to present a possible alternative, based on its structure-affinity, as potential Inhibitors of SARS-COV-2 MPro, with affinity energy ranging from -6.3 to -8.2 kcal/mol.

Conclusions: It was found that both remdesivir and its diastereoisomeric derivatives have an affinity with the main protease (Mpro), responsible for viral replication, with inhibition capacity and possible alternative in its treatment.

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Published
2020-12-03
How to Cite
Fonseca, A. M. da, Cavalcante, A. L. G., Carvalho, R. M. M., Amaral, J. F. do, Colares, R. P., Marinho, E. S., & Neto, M. M. (2020). STUDY OF THE INHIBITION POTENTIAL OF REMDESIVIR DERIVATIVES ON MPRO OF SARS-COV-2. International Journal of Research -GRANTHAALAYAH, 8(11), 164-174. https://doi.org/10.29121/granthaalayah.v8.i11.2020.2342