General Discussion - Real facts: Which COVID19 treatments work

"In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex."

I have docked several ligands (drugs) which are touted to work as "cure" or "treatment" of the Covid-19 to couple of the proteins related to covid-19. Anyone can verify these results I present. I can share the docking parameters as well if one needs them.

Preparation of the ligands and proteins is done according to the art.

If you want me to run simulations for particular compound to these proteins, just ask and I'll do it and post the results here. I am willing to run the simulations to other proteins as well if you will provide the information needed (PDBid and the site of binding. If not, I'll just do blind docking for the prepared protein).

For the results, more negative Gibbs free energy, the merrier binding and efficacy of the drugs. Results ranging from -7 kcal/mol to -15 kcal/mol are relevant. F.ex. -15 kcal/mol is highly active (and probably quite selective as well). Anything from -6.9 to 0 kcal/mol can be discarded. They might work for something else though. From this info you can deduce yourself what drug/ligand works and what not (check the ADME(t)) - at least to that particular protein. Unfortunately I cannot dock (colloidal) silver... Which I do make and ingest myself (for other reasons). So please, stop the gossiping and guessing.

PDBid: 6LU7 (COVID-19 main protease):

Allicin: -3.4 kcal/mol

Alliin: -4.3 kcal/mol

Azhitromycin: -6.4 kcal/mol

Chloroquine: -6.1 kcal/mol

Curcumin: -6.8 kcal/mol

GS-441524: -6.5 kcal/mol

Hydrogen peroxide: -2.9 kcal/mol (it could work, if it destroys the protein by oxidation!)

Hydroxychloroquine: -5.8 kcal/mol

Oseltamivir: -6.3 kcal/mol

Ricinoleic_acid: -4.4 kcal/mol

Scopolamine: -7.2 kcal/mol

Sulforaphane: -3.7 kcal/mol

Vitamin-C: -5.2 kcal/mol (if it works, it works by massive dosages generating hydrogen peroxide)

(Based on these results, scopolamine binds the most tightly to the main protease. It doesn't mean that it renders the protein inactive though! Curcumin seems to work as well but it requires to consume black pepper (piperine) as well!.

PDBid: 6VSB (2019-nCoV spike glycoprotein):

Allicin: -4.0 kcal/mol

Alliin: -4.7 kcal/mol

Azhitromycin: -7.7 kcal/mol

Chloroquine: -6.1 kcal/mol

Curcumin: -7.6 kcal/mol

GS-441524: -7.1 kcal/mol

Hydrogen peroxide: -3.4 kcal/mol (it could work, if it destroys the protein by oxidation!)

Hydroxychloroquine: -6.4 kcal/mol

Oseltamivir: -6.5 kcal/mol

Ricinoleic_acid: -5.6 kcal/mol

Scopolamine: -7.3 kcal/mol

Sulforaphane: -4.1 kcal/mol

Vitamin-C: -5.6 kcal/mol (if it works, it works by massive dosages generating hydrogen peroxide)

Based on these results, azhitromycin binds the best to the spike glycoprotein with curcumin almost on par. Hydroxychoroquine isn't nearly as effective.

As you see, for example curcumin has comparable affinities to synthesized drugs for the main protease and spike glycoprotein. And this is probably the reason India does not have so much of covid-19 cases due to the curry they eat.

And the offtopic part: Does someone know what is the antibody for this particular covid strain? I'm suspecting the ongoing tests can't discriminate between this covid from some other (harmless) coronavirus. Hence so much positives. If you have the info, please forward the DOI to the article or link to the protein...

I hope someone pins this thread or moves it to https://www.reddit.com/r/Coronavirus/" rel="noopener noreferrer nofollow ugc - r/Coronavirus , otherwise it's like pearls before swine... My account is too fresh to post anything to there. Anyway, I say: fuck the governments and official medical agencies and so called "doctors" who claim this and that works without publishing any hard facts to the public. Everybody should do their own research and not allow lead themselves stray due to laziness to do some due diligence checking. And never trust the mass media. I have the opinion the virus is most definitely lab made. There are no credible peer reviewed articles stating otherwise and I have read them all. The best one, full of crap when you examine it thoroghly ( https://dx.doi.org/10.1038/s41591-020-0820-9" rel="noopener noreferrer nofollow ugc - dx.doi.org/10.1038/s41591-020-0820-9 ) - which every major politically inclined newspaper at least in Finland referred to - just poses some possibilities it could have evolved in nature - that's all. Instead there are loads of articles describing artificial mutations done for it. (f.ex one from 2008 describing how the the HIV-inserts are introduced to bind to ACE2-receptors. Such as https://jvi.asm.org/content/jvi/82/4/1899.full.pdf" rel="noopener noreferrer nofollow ugc - https://jvi.asm.org/content/jvi/82/4/1899.full.pdf ). They are fully disregarded and discredited. I wonder why? To cause massive panic and financial crisis apparently.

"It isn't only art that's incompatible with happiness; it's also science. Science is dangerous; we have to keep it most carefully chained and muzzled.... You've had no scientific training, so you can't judge. I was a pretty good physicist in my time. Too good–good enough to realize that all our science is just a cookery book, with an orthodox theory of cooking that nobody's allowed to question, and a list of recipes that mustn't be added to except by special permission from the head cook. I'm the head cook now. But I was an inquisitive young scullion once. I started doing a bit of cooking on my own. Unorthodox cooking, illicit cooking. A bit of real science, in fact." -A.H