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The quercetin – a compound of natural origin – acts as a specific inhibitor of the coronavirus Sars-CoV-2. In fact, the substance shows a destabilizing action on 3CLpro, one of the key proteins for the replication of the pathogen. The study, supported by the Spanish Foundation hna, is published in the International Journal of Biological Macromolecules. The Nanotechnology Institute of the National Research Council, the Cnr-Nanotec of Cosenza, also participated in the research.
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Adrián Velázquez, @ARAID_ES in @unizar, has public. with others “Structural stability of # SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by experimental screening “where quercetin has been identified as an inhibitor of # SARS-CoV-2
➡️https: //t.co/JPWSBZSlX5 pic.twitter.com/OZeALLw0gI– BIN (@ARAID_ES) September 3, 2020
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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 studies that the world of science has begun to defeat the pandemic enemy. The new work, carried out by Bruno Rizzuti from 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 protein 3CLpro, preventing it from performing its function correctly – says Rizzuti, author of the computational part of the study – Already at this moment this molecule is on par with the best antivirals available against coronavirus, none of which, however, are approved as drugs. “
Quercetin, here are the properties
Quercetin, explains the CNR, has a series of original and interesting properties from a pharmacological point of view: “It is present in abundance in common vegetables such as capers, purple onion and chicory, and is known for its antioxidant, anti-inflammatory, anti-allergic and antiproliferative. 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 its 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”, explains Olga Abian from the University of Zaragoza, first author of the publication. “This protein has a dimeric structure, made up of two identical subunits, each with an active site essential for its biological activity. In a first phase of the work, the sensitivity to various conditions of temperature and pH was studied with various experimental techniques: an important result – underlines the scientist – because many groups are working on 3CLpro as a possible drug target, by virtue of the fact that it is strongly conserved in all types of coronavirus. For this protein, molecules that act as inhibitors, but cannot be used as drugs due to their side effects, have already been described in the literature ”.
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