Scientists find a pre-existing drug, used to treat bipolar disorder, effective against coronavirus (1 Viewer)

[JacksinPA]

coronavirus: Scientists find a pre-existing drug, used to treat bipolar disorder, effective against coronavirus - The Economic Times

WASHINGTON: Using state-of-the-art computer simulations, scientists have identified a pre-existing drug, used to treat multiple diseases, including bipolar disorders and hearing loss, that could prevent the novel coronavirus from replicating in host cells, an advance that may lead to a therapeutic solution against COVID-19.

The study, published in the journal Science Advances, assessed the molecule main protease, Mpro, of the novel coronavirus which is a key enzyme that plays a central rule in virus development after infection.

Read more at:
coronavirus: Scientists find a pre-existing drug, used to treat bipolar disorder, effective against coronavirus - The Economic Times



Ebselen is currently being developed for treatment of bipolar disorder & hearing loss (tinnitus). I lab studies it has been shown to be very effective at inhibiting the Main protease (Mpro, nsp5) responsible for the formation of the infective components of COVID-19.

 

[JacksinPA]

BREAKING! COVID-19 Drugs: University Of Chicago Study Identifies Ebselen, A Preexisting Organoselenium Drug As A Potential Candidate For COVID-19 Treatments - Thailand Medical News

 

[JacksinPA]

Preexisting drug shows promise in fight against COVID-19 | EurekAlert! Science News

Preexisting drug shows promise in fight against COVID-19

Using computational analysis, research team shows how ebselen binds to SARS CoV-2 main protease Mpro/nsp5)

Mpro Versus Ebselen

Early in February, concerned by the rapid progress of the pandemic, Professor Juan de Pablo and his students used their molecular modeling expertise to help find a treatment against the disease. They were not the only ones. Other groups around the world were beginning to use supercomputers to rapidly screen thousands of existing compounds for potential use against the SARS-CoV-2 virus.

"By virtue of the large number of compounds considered in high throughput screens, those calculations must necessarily involve a number of simplifications, and the results must then be evaluated using experiments and more refined calculations," de Pablo explained.

Researchers first focused on finding a weakness in the virus to target. They chose its main protease: Mpro. Mpro is a key coronavirus enzyme that plays a central role in the virus' life cycle. It facilitates the virus' ability to transcribe its RNA and replicate its genome within the host cell.

A pharmaceutical drug that shows promise as a weapon against Mpro is Ebselen. Ebselen is a chemical compound with anti-viral, anti-inflammatory, anti-oxidative, bactericidal, and cell-protective properties. Ebselen is used to treat multiple diseases, including bipolar disorders and hearing loss. In combination with silver, Ebselen treats five clinically difficult-to-manage antibiotic-resistant Gram-negative bacteria. Several clinical trials have proven its safety for use in humans.

How It Works

de Pablo and his students set out to develop detailed models of the enzyme and the drug. Using those models and sophisticated supercomputer simulations, they discovered that the small Ebselen molecule is able to decrease Mpro's activity in two different ways.

"In addition to binding at the catalytic site of the enzyme, Ebselen also binds strongly to a distant site, which interferes with the enzyme's catalytic function by relying on a mechanism in which information is carried from one region of a large molecule to another region far away from it through subtle structural reorganizations," de Pablo says.

That finding was particularly important because it helped explain Ebselen's potential efficacy as a repurposed drug, and it revealed a new vulnerability in the virus that was previously not known and that could be use useful in developing new therapeutic strategies against COVID-19.

By working around the clock, the team completed their work in just over two months and submitted their manuscript to public research archives in April for others to consider.

Drug Development Potential

The research team's discovery of two binding sites looks promising for Ebselen to be a new drug lead for the design and development of new Mpro inhibitors and COVID-19 treatment. Motivated by their findings, de Pablo and his student are quick to point out that much work is yet to be done.

"The main protease is one of many proteins in the virus that could be targeted with existing, repurposed drugs, and there are thousands of compounds to be considered," de Pablo says. "We are systematically investigating each of the proteins involved in the virus function and investigating their vulnerabilities and their responses to a wide range of drugs."

de Pablo and his team will soon release a comprehensive study of the RBD/ACE2 complex from the virus and another drug that offers promise to interfere with the binding of the virus to cells.

 

[Taylor]

"Using state-of-the-art computer simulations"
"published in the journal Science Advances"

Meh, still very much in the "wait and see" category. Article title is misleading.

 

[Crosscheck]

These guys appear to be on the right track. This literally could change the world.,

Wishing them much luck.

 

[Crosscheck]

"Using state-of-the-art computer simulations"
"published in the journal Science Advances"

Meh, still very much in the "wait and see" category. Article title is misleading.

I don't see where it is misleading.

Using a computer model can save so much time in research. Finding a component that can safely interfere with the virus's key enzyme in producing protein and in replicating I think can be a major development.

 

[JacksinPA]

Here are the results of a Chinese study on repurposed molecules with the ability to inhibit the key enzyme Mpro. They also found Ebselen to be the most active. The key result is abbreviated IC (for inhibitory concentration). The lower the number, the more potent the molecule at inhibiting the enzyme. As shown in the figure a in the upper right hand corner, Ebselen has an IC = 0.97, which means it is very potent when compared to the other molecules in the figure.

 

[Helix]

please let them find that moderate use of Smirnoff helps. this **** has sent me into multiple nervous collapses between work and fear that we'll catch it.

 

[JacksinPA]

Here are the results of a Chinese study on repurposed molecules with the ability to inhibit the key enzyme Mpro. They also found Ebselen to be the most active. The key result is abbreviated IC (for inhibitory concentration). The lower the number, the more potent the molecule at inhibiting the enzyme. As shown in the figure a in the upper right hand corner, Ebselen has an IC50 = 0.67, which means it is very potent when compared to the other molecules in the figure.

Once Mpro is inhibited, the virus is dead.

 

[ataraxia]

coronavirus: Scientists find a pre-existing drug, used to treat bipolar disorder, effective against coronavirus - The Economic Times

WASHINGTON: Using state-of-the-art computer simulations, scientists have identified a pre-existing drug, used to treat multiple diseases, including bipolar disorders and hearing loss, that could prevent the novel coronavirus from replicating in host cells, an advance that may lead to a therapeutic solution against COVID-19.

The study, published in the journal Science Advances, assessed the molecule main protease, Mpro, of the novel coronavirus which is a key enzyme that plays a central rule in virus development after infection.

Read more at:
coronavirus: Scientists find a pre-existing drug, used to treat bipolar disorder, effective against coronavirus - The Economic Times

View attachment 67291672

Ebselen is currently being developed for treatment of bipolar disorder & hearing loss (tinnitus). I lab studies it has been shown to be very effective at inhibiting the Main protease (Mpro, nsp5) responsible for the formation of the infective components of COVID-19.

Wow I hope this drug works out this time. This virus has really beaten the whole world black and blue.

 

[JacksinPA]

please let them find that moderate use of Smirnoff helps. this **** has sent me into multiple nervous collapses between work and fear that we'll catch it.

Smirnoff? You're not being very good to yourself. Her's the one I prefer: Luksusowa Polish Potato Vodka

Drink it ice cold, Russian style.

 

[JacksinPA]

Wow I hope this drug works out this time. This virus has really beaten the whole world black and blue.

Check the figures for IC50 in post #9 this thread. This stuff seems to do the trick,

 

[JacksinPA]

I don't see where it is misleading.

Using a computer model can save so much time in research. Finding a component that can safely interfere with the virus's key enzyme in producing protein and in replicating I think can be a major development.

Computer modeling is state of the art when working with these submicroscopic biological molecules. When comparing the structures of thousands of molecules, there is no other way.

 

[Court Jester]

Waste of time. Everybody knows that wearing cloth masks will defeat the virus. Something about the magical qualities of paper or cloth masks and the virus just disappears.

 

[JacksinPA]

It will require a combination of masks, vaccines & small molecule anti-viral drug to defeat this virus. No one by itself will be sufficient.

 

[ataraxia]

Waste of time. Everybody knows that wearing cloth masks will defeat the virus. Something about the magical qualities of paper or cloth masks and the virus just disappears.

This looks like the cover of a new heavy metal band.

 

[Taylor]

I don't see where it is misleading.

Using a computer model can save so much time in research. Finding a component that can safely interfere with the virus's key enzyme in producing protein and in replicating I think can be a major development.

"Effective" implies that it could be used to treat Covid. There is no reliable evidence of that.

 

[SMTA]

please let them find that moderate use of Smirnoff helps. this **** has sent me into multiple nervous collapses between work and fear that we'll catch it.

Please don’t get your hopes up on this article.
From what I read, they are using computer modeling to throw a ton of compounds against the wall to see if they stick.
This wild ass abandon is a crapshoot, at best, and nothing more.
I wouldn’t hold my breath just yet, I’m sorry to say.

 

[Helix]

Please don’t get your hopes up on this article.
From what I read, they are using computer modeling to throw a ton of compounds against the wall to see if they stick.
This wild ass abandon is a crapshoot, at best, and nothing more.
I wouldn’t hold my breath just yet, I’m sorry to say.

i feel like i've been holding my breath since March.

 

[SMTA]

i feel like i've been holding my breath since March.

As have I.
My odds of survival if I get this won’t be good at all.
As a country, we have done a pathetic job from the beginning, and I still see only stupid judgements and comments from all involved.
Seems to me this is like the common cold and cancer, where there is more money involved in treatment instead of curing the disease.
Welcome to capitalism 101.

 

[Helix]

As have I.
My odds of survival if I get this won’t be good at all.
As a country, we have done a pathetic job from the beginning, and I still see only stupid judgements and comments from all involved.
Seems to me this is like the common cold and cancer, where there is more money involved in treatment instead of curing the disease.
Welcome to capitalism 101.

there's stuff in the works that i'm hopeful about. i agree about the rest, though.

 

[What if...?]

Waste of time. Everybody knows that wearing cloth masks will defeat the virus. Something about the magical qualities of paper or cloth masks and the virus just disappears.

You are aware that its gravity and not elf wishes that keeps everything from floating off the planet, right?

I suspect you'd he fine if they performed open heart surgery on you without gloves and masks, right?

Masks don't do anything, right?

God you people are stupid

 

[SMTA]

there's stuff in the works that i'm hopeful about. i agree about the rest, though.

Is seems that every other country has a ‘cure’ that they are close with.
I’ll believe success when I see it work.
I also remember how wonderful Agent Orange was when we raced it to market.
We have an tendency to not cross the T’s and dot our I’s when we get in a hurry.

 

[SMTA]

You are aware that its gravity and not elf wishes that keeps everything from floating off the planet, right?

I suspect you'd he fine if they performed open heart surgery on you without gloves and masks, right?

Masks don't do anything, right?

God you people are stupid

Those morons are called ‘rat lickers’.
That label came from the bubonic plague days.

 

[Threegoofs]

Wow I hope this drug works out this time. This virus has really beaten the whole world black and blue.

This has a 1% chance of utility.

I mean, you need RCTs to know.

But before that, you need in vivo testing.

And before that, you need in vitro testing.

This is the step before THAT... “in silico” testing. It only exists on a screen.