In silico evaluation of potassium USNATE: A composite promiser in the Covid-19 combat

MARCIO RENNAN SANTOS TAVARES; VITOR PRATES LORENZO TAVARES; MATEUS MATIUZZI DA COSTA; HELINANDO PEQUENO DE OLIVEIRA; EUGENIA CRISTINA GONCALVES PEREIRA

doi:10.31686/ijier.vol8.iss6.2449

Authors

TAVARES, M. R. S. a:1:{s:5:"en_US";s:25:"PROFESSOR DO IF SERTAO PE";}
LORENZO, V. P. INSTITUTO FEDERAL DO SERTÃO PERNAMBUCANO
COSTA, M. M. UNIVERSIDADE FEDERAL DO VALE DO SÃO FRANCISCO
OLIVEIRA, H. P. UNIVERSIDADE FEDERAL DO VALE DO SÃO FRANCISCO
PEREIRA, E. C. UNIVERSIDADE FEDERAL DE PERNAMBUCO

DOI:

https://doi.org/10.31686/ijier.vol8.iss6.2449

Keywords:

Covid-19, potassium usnate, antivirals, molecular docking

Abstract

A new coronavirus appears in China in December 2019, subsequently threatening the world, it was identified as Covid-19. Its main symptomatic characteristic is directly linked to acute respiratory failure, however there are asymptomatic cases of the disease, mainly in the group not considered at risk. For the treatment of the disease a variety ofantiviral drugs have been tested, with conflicting results. The use of computer-assisted drugs is essential for the development of new therapeutic alternatives for various diseases, once they reduce the time consumed in the initial screening tests, in addition to determining the possible mechanisms of action and reducing toxicity. In our study, we evaluated the interaction of viral components of the coronavirus with potassium usnate, salt derived from lichenic origin and with proven antimicrobial and antitumor activities. Derived from ussic acid, potassium usnate showed low energy for complex formation, this interaction occurs between the usnate salt and the structures of proteinase 3CLpro and enzyme Mpro, all key parts of Covid-19. In addition, in order to prove in silico the use of potassium usnate, they were tested and compared with other approved drugs and candidates for clinical trials to combat the new coronavirus.

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Author Biographies

TAVARES, M. R. S., a:1:{s:5:"en_US";s:25:"PROFESSOR DO IF SERTAO PE";}

LABORATÓRIO DE QUÍMICA DO IF SERTAO PE CAMPUS PETROLINA ZONA RURAL.
LORENZO, V. P., INSTITUTO FEDERAL DO SERTÃO PERNAMBUCANO

LABORATÓRIO DE QUÍMICA DO IF SERTAO PE CAMPUS PETROLINA ZONA RURAL
COSTA, M. M., UNIVERSIDADE FEDERAL DO VALE DO SÃO FRANCISCO

LABORATÓRIO DE MICROBIOLOGIA E IMUNOLOGIA ANIMAL DA UNIVASF - CAMPUS CCA

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