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-Signs, Portents, and the Weather-
Massive computer at Oak Ridge National Labs ID's 77 potential COVID-19 treatments
2020-04-10
[futurism] Scientists recently tasked the world’s fastest supercomputer with running thousands of simulations to find drug compounds that could fight the coronavirus.

Now, CNN reports, the IBM supercomputer ‐ called "Summit" and housed at the Oak Ridge National Laboratory in Tennessee ‐ has identified 77 treatments that may be able to stop COVID-19 dead in its tracks.

The research, detailed in a paper uploaded to the preprint server ChemRxiv, could help researchers develop a drug to treat the deadly virus ‐ but so far, it’s only an important first step.

"Our results don’t mean that we have found a cure or treatment for the coronavirus," said Jeremy Smith, director of the Oak Ridge National Laboratory Center for Molecular Biophysics, in a statement.

"We are very hopeful, though, that our computational findings will both inform future studies and provide a framework that experimentalists will use to further investigate these compounds," he added.

The massive supercomputer was tasked with finding compounds that could bind to the "spike protein" or "S-protein" of the virus that it uses to infect host cells. By rendering the protein ineffective, the virus would be inhibited from spreading.

Using previously-created models of the coronavirus spike, the researchers simulated how particles in the viral protein would react to different drug compounds.

The team cut down the list from 77 to the top seven most promising candidates to treat the SARS-CoV-2 virus.
Posted by:Besoeker

#10  Huh. I use it.
Posted by: Whiskey Mike   2020-04-10 22:55  

#9  Artemisinin is the oldest known anti-flu and malarial preventive. Not a drug really, it's derivatives and compounds are used as supplements in the modern form of Traditional Chinese Medicine.

Discovered by the Yellow Emperor, I think. It's called 'sweet wormwood' and can possibly prevent malaria if taken before entering an infected environment. Maybe some derivative can cure too, I don't know.

When they say it's safer, I think they mean it's already taken as supplements in China and is organically derived ?
Posted by: Dron66046   2020-04-10 19:08  

#8  You can get Artemisinin at health food stores and online from Homeopathy sites, so it's not really regulated (or required to be).

This, of course, won't stand well with the FDA (or their Big Pharma/$$$ cohorts) and expect some BS language coming from them shortly.
Posted by: Mullah Richard   2020-04-10 12:05  

#7  ^Comes from "Artemis", not "Aramis".
Posted by: g(r)omgoru   2020-04-10 11:33  

#6  Artemisinin?
Can it be combined for greater efficacy with D'Artagnanin, Athosin and Porthosin?
Posted by: Lex   2020-04-10 11:28  

#5  Hydroxycloroquine is inexpensive, readily and widely available, India rather than China makes 70% of the world supply, according to Dron66046, and was the first off the blocks to show a positive impact on patients. You go to war fight the pandemic with the tools you have at hand, then upgrade as there is time and money to do so. Which is why FDA and CDC footdragging is so dangerous; they know that a raging pandemic is when early actions make a huge difference, but demanded it only of the populace, not themselves.

Also, models. The scientists now have seven things to test, and then later another seventy. How the suggestions work in the real world will show how well the scientists and programmers currently understand the disease they were trying to model.
Posted by: trailing wife   2020-04-10 11:00  

#4  n-silico Studies of Antimalarial-agent Artemisinin and Derivatives Portray More Potent Binding to Lys353 and Lys31-Binding Hotspots of SARS-CoV-2 Spike Protein than Hydroxychloroquine: Potential Repurposing of Artenimol for COVID-19.
Preprint submitted on 08.04.2020, 09:33 and posted on 09.04.2020, 06:15 by Moussa SEHAILIA Smain chemat
The role of hydroxychloroquine to prevent hACE2 from interacting with SARS-CoV-2 Spike protein is unveiled. Artemisinin & derived compounds entangle better than hydroxychloroquine into Lys353 and Lys31 binding hotspots of the virus Spike protein, therefore preventing infection occurs. Since these molecules are effective antivirals with excellent safety track records, their potential repurposing is recommended for clinical trials of COVID-19 patients.
Posted by: crazyhorse   2020-04-10 08:04  

#3  You may download the 314 MB report HERE and see where hydroxycloroquine ranks in their model.
Posted by: Bobby   2020-04-10 07:45  

#2  Well I guess computers will never get this bug.
Posted by: AlanC   2020-04-10 07:31  

#1  How successful was this supercomputer with SARS-CoV-1? MERS? Zika? Pick-a-Flu?
Posted by: Clem   2020-04-10 05:25  

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