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.
'Girls' star and creator Lena Dunham has shared her story on Instagram of contracting and surviving the novel coronavirus COVID-19. CNN reports Dunham said she was able to avoid going to a hospital because a doctor instructed her on how to care for herself. Johns Hopkins University data says more than 4.5 million people have been infected with the virus in the United States and 153,314 people have died.
India is now third on the Johns Hopkins University tally of countries struggling with the novel coronavirus COVID-19, following the US and Brazil. Far from flattening the curve, CNN reports India's number of cases are reaching for the stars. First observed in 1857 by Florence Nightingale, India has struggled to provide basic public health services for its people. On the Health Care Access and Quality Index, India trails its neighbors Myanmar, Sri Lanka, Bhutan, and Bangladesh.
Fox News host Chris Wallace held a wide-ranging ― and at times, testy ― interview with US President Donald Trump on Sunday. HuffPost reports the president repeated his unsubstantiated claim that the novel coronavirus COVID-19 will simply 'disappear' one day. Johns Hopkins University data indicates the US leads the world in known coronavirus infections and deaths. Over 3.7 million cases of COVID-19 and 140,000 deaths due to the virus have been recorded nationwide.
Countries including the US, South Africa and India are struggling to hold down rising rates of coronavirus as global deaths from Covid-19 surged past 600,000.Concerns are rising that the pandemic has found fresh legs over the past few weeks, with Johns Hopkins University and the World Health Organisation (WHO) both recording daily highs in newly reported infections.The Department for Health and Social Care said on Friday it was “pausing” publication of daily death figures for the whole of the UK after Health Secretary Matt Hancock ordered a review into claims by researchers that there were “statistical flaws” in the way they are calculated.
Credit: PA - Press Association STUDIO Duration: 00:34Published
Countries including the US, South Africa and India are struggling to hold down rising rates of coronavirus as global deaths from Covid-19 surged past 600,000.Concerns are rising that the pandemic has found fresh legs over the past few weeks, with Johns Hopkins University and the World Health Organisation (WHO) both recording daily highs in newly reported infections.
Credit: PA - Press Association STUDIO Duration: 01:42Published