Background: The Coronavirus disease 2019 (COVID-19) pandemic, caused
by the SARS-CoV-2 coronavirus, remains a global threat despite lifting the
health emergency. Scientists from all continents have been mobilized to develop
vaccines and medicines for prevention and cure. In Burkina Faso, traditional
healers proposed using Scoparia dulcis L., a medicinal plant, to manage
COVID-19. Method: In silico screening offers a quick drug-likeness evaluation
of Scoparia dulcis L.-isolated biomolecules toward SARS-CoV-2 targets,
such as Mpro protease. A review of the literature retrieved 35 biomolecules isolated
from Scoparia dulcis . The potential interactions of these biomolecules
with the amino acid residues of the SARS-CoV-2 Mpro protease were visualized.
Affinities and probable oral route delivery were assessed using reference
molecules such as remdesivir and nelfinavir. Results: The screening allowed
the retention of 20 hit molecules, which had a better affinity for the target than
the reference molecules remdesivir and nelfinavir, and analysis of the results
identified height lead molecules with a significant interaction with the Mpro
protease and being druggable. There are six flavonoids: cirsimarin, cynaroside,
hydroxy-tetramethoxyflavone, gossypetin, luteolin, vitexin, one diterpene,
glutinol, and one glycoside, eugenyl-glucoside. These molecules interact with
methionine 6 and tyrosine 126 of SARS-CoV-2 Mpro. These two amino acids
are essential for the dimerization of Mpro protease. Inhibitory action on Mpro
protease can be expected from these biomolecules. Conclusion: Scoparia dulcis
L. could help manage COVID-19 because it contains biomolecules that can
inactivate SARS-CoV-2 Mpro.

COVID-19, Molecular Docking, Mpro, Biomolecules, Scoparia dulcis