Earlier quoted context omitted.
CDK inhibitors play a role in cancer therapy.
Would a greater amount of nonspecific cancer funding have allowed this specific discovery to be found faster since it is limited by a machine and human evaluation of the results?
AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
41–50 of 72 posts
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#42Can someone explain for people who aren't good at biology what are the implications of this "novel CDK inhibitor"? Is this news only because of the discovery method (i.e. AI-based), or is it significant news in and of itself (i.e. this novel CDK20 inhibitor is/could be a big deal)?
CDK inhibitors play a role in cancer therapy.
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#43It would be great it we could find a way to use Alphafold to kindof reverse engineer proteins - like to specify the shape you want and then run Alphafold 'backwards' so that you're going from shape -> DNA instead of DNA -> shape
They mention a framework for protein design. But I guess you'd start out with a know sequence/structure and mutate it towards what you want.
Rarely, there have been attempts to engineer entirely new folds, although it's not clear how necessary that is.
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#44Earlier quoted context omitted.
CDK inhibitors play a role in cancer therapy.
You say they play a role in cancer therapy, yet the paper states, "this molecule is the first reported CDK20 inhibitor". How could they have played a role before they existed?
CDK20 = a specific CDK
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#45It's hard to read the tea leaves of the author affiliation list, but it sure looks like this work was led by a Hong Kong-based startup founded by Russians, with limited assistance from a couple North America-based researchers.
I'm curious why those Russians may have chosen to found in HK rather than, say, the Bay Area. We may want to contemplate what this means for America's competitive stance (not that I have any problem with the rest of the world doing awesome cutting edge research).
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#46Interesting to consider this in light of yesterday's news about the lack of success for IBM Watson in Healthcare. https://news.ycombinator.com/item?id=30046432 IBM’s Watson Health is sold off in parts
Alphafold has a clear, easily stated application and problem it solves. Watson, like the AI craze in general, was mostly buzzwords and hype covering the fact that it was actually three application specialists in a trench coat trying to pass themselves off as machine intelligence.
I'm kind of surprised more companies didn't try follow suit, it would have been very easy to create the public impression that e.g. AlphaGo and AlphaFold were actually the same AI and available on GCP, or something like that. But I guess the deception breaks down faster when you're not hiring consultants.
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#47Earlier quoted context omitted.
They mention a framework for protein design. But I guess you'd start out with a know sequence/structure and mutate it towards what you want.
Yes, a common way to design new structures is to 'thread' the sequence onto existing folds. Rarely, there have been attempts to engineer entirely new folds, although it's not clear how necessary that is.
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#48Can someone explain for people who aren't good at biology what are the implications of this "novel CDK inhibitor"? Is this news only because of the discovery method (i.e. AI-based), or is it significant news in and of itself (i.e. this novel CDK20 inhibitor is/could be a big deal)?
I think this is explained pretty well in the paper: "...hepatocellular carcinoma (HCC) was nominated as the indication of interest due to its high prevalence in liver cancers and lack of effective treatments. In general, by analysis of text and OMICs data from 10 database for hepatocellular carcinoma, PandaOmics provides a top list of 20 targets after multiple dimensions filtration, including novelty, accessibility b…
hepatocellular carcinoma is a rare form of liver cancer (affecting less than 200k people in the US per year).
CDK20 is strongly associated with that cancer / disease.
This molecule inhibits CDK20 - so it might help people with hepatocellular carcinoma.
But I'm dumb and know nothing, so that someone correct me if I'm completely wrong.
I tried my best ¯\_(ツ)_/¯
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#49Very cool. It's hard to read the tea leaves of the author affiliation list, but it sure looks like this work was led by a Hong Kong-based startup founded by Russians, with limited assistance from a couple North America-based researchers. I'm curious why those Russians may have chosen to found in HK rather than, say, the Bay Area. We may want to contemplate what this means for America's competitive stance (not that I…
Re: AlphaFold-Powered Drug Discovery of a Novel CDK20 Inhibitor
#50Very cool. It's hard to read the tea leaves of the author affiliation list, but it sure looks like this work was led by a Hong Kong-based startup founded by Russians, with limited assistance from a couple North America-based researchers. I'm curious why those Russians may have chosen to found in HK rather than, say, the Bay Area. We may want to contemplate what this means for America's competitive stance (not that I…
Besides Aspuru-Guzik, this author seems to be the most wellknown in the field.
My read is that they are in HK for the diverse CS talent (ie other russians) and second, better funding options compared to being in China proper.
Knowing russians, they have been considering the Far East as more culturally accomodating than the SV corporate style (combining the poorer aspects of left and right) for some time now. I would say if Texas had a insilico pharm industry that might be comparable to HK..