Supercomputer discovered possible drugs against SARS-CoV-2
One of the most powerful computers worldwide sought under 42.000 known substances in terms of whether they could show the Coronavirus SARS-CoV-2 effect. The calculation lasted for two months. Several already-approved Hepatitis-C-drugs of the Supercomputer identified as a particularly promising candidate. In addition, a natural substance showed particular potential against COVID-19.
The Supercomputer MOGON II., which is operated by the Johannes Gutenberg-University Mainz and the Helmholtz Institute Mainz, calculated for several Hepatitis C drugs as potential agents against COVID-19. In addition, the Computer discovered that substances could be from the Japanese honeysuckle to be effective against SARS-CoV-2. The results of the calculation have been recently presented in a Bulletin of the world health organization WHO.
Has discovered the Supercomputer, an active ingredient against COVID-19?
Against the viral disease Hepatitis C some medications, which could also help in by the Coronavirus SARS-CoV-2 caused disease COVID-19 exist. The Supercomputer calculated in a two-month calculation is the drugs as the most promising candidate out of 42,000 agents.
30 Billion Calculations
The Supercomputer simulated a total of 30 billion calculations, which of the 42.000 substances are able to bind to proteins of the Coronavirus SARS-CoV-2, so that you can prevent the Penetration into the human cells or inhibit replication. “As molecular Docking, to be referred to, and for years the recognised method of computer simulation is much faster and more cost-effective than laboratory experiments,” says Professor Dr. Thomas Efferth of the Institute of Pharmaceutical and Biomedical Sciences.
“To our knowledge we are the First, the molecular Docking in connection with SARS-CoV-2 apply”, stresses Efferth. The results were sensational. The Computer have found four approved Hepatitis C drugs that are very promising. In addition, a natural material makes the Japanese honeysuckle hope for a cure.
Four Hepatitis-active substances as candidates
Calculations indicate that the four Hepatitis C medication Simeprevir Paritaprevir, Grazoprevir and Velpatasvir can connect with a high probability of very strong SARS-CoV-2. This results in a high Chance of infection, thus preventing or at least the risk could be reduced results also. “This also speaks, that it is in SARS-CoV-2 as with the Hepatitis C Virus, a so-called single-stranded RNA Virus, a Virus of the same type,” stresses Efferth.
Natural healing is also promising
In addition to the Hepatitis-C-drugs, the Supercomputer also discovered a natural product as a potential cure. This is a substance from the Japanese honeysuckle (Lonicera japonica). The Plant is used in Asia for centuries in various diseases. This could explain why in China a positive experience is reported, if COVID-19-Ill get supportive treatment from traditional Chinese medicine.
Results still need to be checked
“Our results now need to be by means of laboratory experiments and clinical studies reviewed,” explains Efferth. Since it is already approved active substances, is expected to run this process, however, is significantly shorter than usual. (vb)
Also read: Corona remedies: Traditional Chinese medicine (TCM) can help against COVID-19.