Health
Supercomputer simulations suggest hepatitis C drugs may help fight COVID-19-New Indian Express
Berlin: A large computationally-based study using supercomputer simulations shows that several drugs approved for the treatment of hepatitis C virus infection are responsible for COVID-19 caused by SARS-CoV-2 coronavirus. It has been identified as a potential candidate.
Researchers at the University of Johannes Gutenberg Mainz (JGU) in Germany found that about 42,000 different substances listed in the open database bind to specific proteins of SARS-CoV-2, which causes the virus to enter the human body or its We simulated a method of inhibiting proliferation.
Using a powerful MOGON II supercomputer operated by JGU and Helmholtz Institute Mainz, researchers made more than 30 billion single calculations in two months.
They find that compounds from four hepatitis C drugs, simeprevir, paritaprevir, glazoprevir, and velpatasvir, have a high affinity for binding SARS-CoV-2 very strongly and therefore may prevent infection. I found that there is.
“This computer simulation technique is known as molecular docking and has been recognized and used for many years.
It’s much faster and cheaper than lab experiments. “
“As far as we know, we were the first to use molecular docking with SARS-CoV-2.
And the discovery of many approved hepatitis C drugs as promising candidates for treatment is great news, “said Effers.
This result is also supported by the fact that both SARS-CoV-2 and hepatitis C virus are the same type of virus, so-called single-stranded RNA viruses, explained Efferth.
Researchers say that natural substances from Japanese honeysuckle (Lonicera japonica), which have been used in Asia for a variety of other diseases for some time, may be another strong candidate for SARS-CoV-2. not.
“Our research results need to be confirmed in laboratory experiments and clinical studies,” Efers said.
He added that molecular docking had already been used successfully in the search for active substances against the coronavirus MERS-CoV and SARS-CoV.
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