Interaction of drugs candidates with various SARS-CoV-2 receptors: an in silico study to combat COVID-19

Romulo O. Barros; Fabio L. C. C. Junior; Wildrimak S. Pereira; Neiva M. N. Oliveira; Ricardo Ramos

doi:10.26434/chemrxiv.12100968.v3

Biological and Medicinal Chemistry

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Interaction of drugs candidates with various SARS-CoV-2 receptors: an in silico study to combat COVID-19

24 April 2020, Version 3

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Abstract

The world is currently facing the COVID-19 pandemic caused by the SARS-CoV-2 virus. The pandemic is causing the death of people around the world and public and social health measures to slow or prevent the spread of COVID-19 are being implemented with the involvement of all members of society. Research institutions are accelerating the discovery of vaccines and therapies for the COVID-19. In this work, molecular docking was used to study (in silico) the interaction of twenty-four ligands, divided into four groups, with four important SARS-CoV-2 receptors. The results showed that Metaquine (group 01), antimalarial substance and the anti-HIV antiretroviral Saquinavir (group 03), presented interaction with all the studied receptors, indicating them as potentials candidates for muti-target drugs for COVID-19.

Keywords

SARS-CoV-2

COVID_19

Docking Studies

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