A team of chemists from HSE University and the Zelinsky Institute of Organic Chemistry used molecular modelling to find out that two medications that have been known for a long time can be used to fight SARS-CoV-2. These are disulfiram, which is used to treat alcoholism, and neratinib, an experimental drug being used to treat breast cancer. The paper about the discovery has been published online in the 4th issue of Mendeleev Communications journal.The structural elements of the virus that are less subject to mutation during its evolution should be chosen as a target for the potential treatment. Otherwise, a medication effective against one strain would no longer be effective against another. The best candidates for this are conservative proteins, such as the SARS-CoV-2 virus main protease M pro. In addition to being resistant to mutations, M pro plays a major role in coronavirusreplication, which means that its inhibition (blocking its function) is able to slow down or even completely stop its reproduction inside the body.Usually, the process of docking, as with a port dock and a ship entering it, is used for molecular modelling in simple cases. Two molecules participate in docking. One is called a 'ligand' (here, it is a medicine), and the other one is 'receptor' (or active site) of the target protein, such as Mpro, which can be used to 'dock'. An effective drug docks with the active site, by covalent links, which makes the enzyme dysfunctional or destroys it. But classical docking does not work in SARS-CoV-2.To overcome this problem, chemists from HSE University and the Zelinsky Institute decided to use 'on-top docking', which they came up with shortly before the pandemic. 'We decided not to focus on the previously described active site, but to investigate the whole surface of M pro protein with many medications, hoping that the big calculation powers would return useful "dockings",' - said Igor Svitanko, the author of the article,Professor at the HSE Joint Department of Organic Chemistry with the RAS Zelinsky Institute of Organic Chemistry.
White House health experts are warning of a slow rise in the percentage of people testing positive for coronavirus in U.S. cities such as Boston, Chicago, Detroit and Washington and urged local leaders to remain vigilant to avoid a surge. Lisa Bernhard produced this report.
PFAS chemicals are made up of a chain of linked carbon and fluorine atoms, which do not degrade in the environment. A 2015 CDC report found endocrine-disrupting PFAS have been detected in the blood of 97% of Americans. According to CNN, they're used in all sorts of consumer products, including fast food packaging. Foods that contain a lot of grease -- such as burgers, fries, and cookies -- are prime candidates for wrappers made with PFAS.
On Thursday, the U.S. Centers for Disease Control and Prevention said up to 20% of pregnant women in the U.S. drink alcohol during their first trimester. According to Business Insider the CDC also said that more than 10% admit to binge drinking during that time. In addition, nearly 5% reported consuming alcohol at least once during the second and third trimesters, the CDC said. Nearly 40% indicated that they also used at least one other substance , commonly tobacco and marijuana.
Facebook and Twitter pulled posts by U.S. President Donald Trump and his campaign Wednesday, alleging the posts violated their rules on sharing misinformation about the coronavirus. Gloria Tso reports.
Sen. Elizabeth Warren endorsed her former rival, Joe Biden, for the presidency Wednesday.
Earlier in the week, Biden got endorsements from former Democratic... The Wrap Also reported by •bizjournals •Mediaite •cbs4.com •CBS News