Health
Hearing loss, an existing drug used to treat bipolar disorder, can prevent COVID-19 from spreading to human cells
Ebselen is a compound with antiviral, anti-inflammatory, antioxidant, bactericidal, and cytoprotective properties.
Using state-of-the-art computer simulation, scientists have identified existing drugs used to treat multiple disorders such as bipolar disorder and deafness. Treatment for COVID-19.
Research published in journals Scientific progress, Mpro, a novel key coronavirus molecular key protease, is a key enzyme that plays a central role in its life cycle.
According to researchers, including researchers at the University of Chicago in the United States, Mpro promotes the ability of viruses to make proteins from their genetic material, RNA, and allows pathogens to replicate in host cells.
Scientists have used their expertise in modeling biomolecules to rapidly screen thousands of existing compounds for potential use against viruses.
“Thanks to the large number of compounds considered in high throughput screening, these calculations necessarily have to be accompanied by some simplifications, and the results are then evaluated using and more sophisticated calculations. Must be done,” explained co-author Juan de Pablo, University of Chicago.
They found that a promising drug as a weapon against Mpro is Ebselen, a compound with antiviral, anti-inflammatory, antioxidant, bactericidal, and cytoprotective properties.
According to researchers, Epselen has been used to treat multiple disorders such as bipolar disorder and hearing loss.
They said some clinical trials proved safe for human use.
In a study, Depablo and his team developed detailed models of enzymes and drugs and, through advanced supercomputer simulations, found that Epselen could reduce Mpro activity in two different ways.
“Ebselen binds strongly to distant sites in addition to binding at the enzyme’s catalytic site. This depends on the mechanism by which information is transported from one region of a large molecule to another It departs from it through subtle structural restructuring that interferes with catalytic function.”
According to scientists, this finding helps explain the potential efficacy of Ebselen as a diversion drug, and could help develop previously unknown new therapeutic strategies for COVID-19. This discovery is especially important because it reveals new vulnerabilities in.
Researchers believe that more research is needed to test drugs against COVID-19, but the two binding sites on Mpro believe that Ebselen appears to be the new drug lead. I am.
“The main protease is one of many proteins in the virus, which can be targeted by existing diverted drugs, and there are thousands of compounds to consider,” de Pablo said.
“We are systematically investigating each protein involved in the functioning of the virus, examining their vulnerabilities and their response to a wide range of drugs,” he added.
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