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Along with the search for an effective vaccine, the development of specific antiviral drugs for the coronavirus responsible for Covid-19 is another important line of study that has launched the world of science to overcome the pandemic enemy. Also because in many cases, such as HIV, they have allowed the disease to be perfectly controlled. The new work, led by Bruno Rizzuti of Cnr-Nanotec with a group of researchers from Zaragoza and Madrid – shows that quercetin, by blocking the enzymatic activity of 3CLpro, is “lethal” for Sars-CoV-2.
“Computer simulations have shown that quercetin binds exactly to the active site of the 3CLpro protein, preventing it from performing its function correctly, says Rizzuti, author of the computational part of the study, even now this molecule is on par with the best antivirals available. against coronavirus, none of which, however, is approved as a drug. Quercetin has a number of original and interesting properties from a pharmacological point of view: it is present in abundance in common vegetables such as capers, onions red and chicory and is known for its antioxidant, anti-inflammatory, antiallergic, antiproliferative properties. Its pharmacokinetic properties are also known and it is well tolerated by man “.
Furthermore, quercetin can be easily modified to develop an even more powerful synthetic molecule, thanks to the small size and the particular functional groups present in its chemical structure. Since it cannot be patented, anyone can use it as a starting point for further research. “The study is based on an experimental characterization of 3CLpro, the main protease of SARS-CoV-2”, specifies Olga Abian |, from the University of Zaragoza and first author of the publication: “This protein has a dimeric structure, formed by two identical subunits, each one with an active site essential for its biological activity. In the first phase of the work, the sensitivity to various conditions of temperature and pH was studied with various experimental techniques: an important result because many groups are working on 3CLpro as a possible pharmacological target, since it is strongly conserved in all of them. the types of coronavirus. For this protein, molecules that act as inhibitors have already been reported in the literature, but cannot be used as drugs due to their side effects ”.
“The most interesting part of this work is the experimental screening carried out on 150 compounds, thanks to which quercetin was identified as an active molecule in 3CLpro”, he concludes Adrian Velazquez-Campoy from the University of Zaragoza, who led the research team and has already worked on the research of protein inhibitor drugs for the original SARS virus that caused the 2003 outbreak. “Quercetin reduces the enzymatic activity of 3CLpro thanks to its effect destabilizing on proteins. Obviously we hope that a vaccine will be found, but drugs will still be necessary for people already infected and for those who cannot be vaccinated. Therefore, the search for new molecules aims to administer a combination of different compounds, to minimize drug resistance and the development of new viral strains ”.
