TrumpLyftAlles | 3 points | Jun 25 2020 18:09:51

Comparative docking of SARS-CoV-2 receptors antagonists from repurposing drugs (Brazil, 2020-03)

https://www.researchgate.net/publication/340389889_Comparative_docking_of_SARS-CoV-2_receptors_antagonists_from_repurposing_drugs

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[-] TrumpLyftAlles | 2 points | Jun 25 2020 18:10:30

Ivermectin binds well? IVERTODO: Read the PDF.

#Abstract According to the World Health Organisation, until 16 June, 2020, the number of confirmed and notified cases of COVID-19 has already exceeded 7.9 million with approximately 434 thousand deaths worldwide. This research aimed to find repurposing antagonists, that may inhibit the activity of the main protease (Mpro) of the SARS-CoV-2 virus, as well as partially modulate the ACE2 receptors largely found in lung cells, and reduce viral replication by inhibiting Nsp12 RNA polymerase. Docking molecular simulations were performed among a total of 60 structures, most of all, published in the literature against the novel coronavirus. The theoretical results indicated that, in comparative terms, paritaprevir, ivermectin, ledipasvir, and simeprevir, are among the most theoretical promising drugs in remission of symptoms from the disease. Furthermore, also corroborate indinavir to the high modulation in viral receptors. The second group of promising drugs includes remdesivir and azithromycin. The repurposing drugs HCQ and chloroquine were not effective in comparative terms to other drugs, as monotherapies, against SARS-CoV-2 infection.

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[-] thaw4188 | 2 points | Jun 26 2020 17:14:24

that paper is amazing, look at aspirin (I guess as a control) vs ivermectin, it's even stronger than Remdesivir

https://i.imgur.com/kCBO4pp.png

I wonder what ivermectin b1a vs b1b actually is, a molecular variant of the drug?

and what's paritaprevir? ah, it's a hepatitis-c antiviral

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[-] [deleted] | 1 points | Jul 30 2020 02:15:15

Awesome paper, I reference it all the time.

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