id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-259223-6b07qiw2	Feitosa, Eduardo L	COVID-19: Rational discovery of the therapeutic potential of Melatonin as a SARS-CoV-2 main Protease Inhibitor	2020-07-30		.txt	text/plain	6844	322	40	Molecular docking studies described the binding sites and the interaction energies of 74 Mpro-ligand complexes deposited in the Protein Data Bank (PDB). The search for structural similarity used the 10 hit molecules that presented the best interaction energies (Kcal/mol) measured in the docking study among all 74 ligand-Mpro complexes from PDB. The selected hits (top 10 best-scored compounds identified by previous docking study), as well as their respective similar binders, were docked into SARS-CoV-2 main protease (Mpro) with unliganded active site (PDB id: 6Y84). The interaction between melatonin and Mpro (Figure 4) improved the values of binding energy and created a new perspective for a molecule with high therapeutic potential over the COVID-19 pathology to act, so far, only in more severe cases of the disease. To understand the need to clinically evaluate melatonin against Cov-2, we should make a brief introduction to infectious and physiopathological characteristics related mainly to the viral cycle and host immune response in the COVID-19 ( Figure 5) .	./cache/cord-259223-6b07qiw2.txt	./txt/cord-259223-6b07qiw2.txt