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.
[NFA] Ohio Governor Mike DeWine said on Thursday he had tested positive for COVID-19 as part of a safety protocol to greet U.S. President Donald Trump when he arrived in Cleveland to visit a Whirlpool washing machine factory. This report produced by Yahaira Jacquez.
Around 690 metric tonnes of ammonium nitrate have been placed at Sattva Hitech CFS in Chennai. The ammonium nitrate was seized by Chennai Customs department in 2015 is kept in 37 containers. While speaking to media persons, a police official said, "Deputy Chief Controller of Explosives has done preliminary inspection to assess safety. Customs are taking immediate measures for disposal." Security arrangements have been made 24 7 at container freight station in Chennai. Concerns were raised after massive blast in Beirut involving unsafely stored ammonium nitrate, which claimed over 100 lives.
A 25-year old Illayaram Sekar attempted to break the Guinness World Records of solving most Rubik's cubes underwater in a single breath. Sekar successfully solved 6 Rubik's cubes in 2:17 minutes against the previous record of 5 Rubik's cubes solved underwater in 2014.
Some cities of the country are witnessing weekend lockdowns and brief shutdowns in view of rising cases of coronavirus. Streets in Chennai on August 02 wore a deserted look as the state observes lockdown till August 31. Started from July 25, Bhopal is observing 10-day complete lockdown. People remained indoors and shops were closed ahead of Raksha Bandhan. Jammu and Kashmir government has extended the COVID-19 lockdown guidelines till August 5. The Union territory on August 02 recorded 613 COVID-19 cases and 11 deaths taking the toll of total cases to 20, 972.
A cinema hall owner in Chennai came to the rescue of flower vendors who had no place to establish their carts. With theatres closed since mid March in wake of COVID-19 pandemic, the owner has now given the parking space to flower vendors in Koyambedu to set up their shops. "We had no place after flower market was shut. But we are grateful to the owner who allowed us to set up a temporary market. Govt should allot us proper space soon," said one of the flower vendors.