OSC19: Open Source COVID19 drug discovery

Open Source COVID19 Drug Discovery

A non-profit group dedicated to COVID19 drug discovery. Join us! Support us!

[William L. Jorgensen @JorgensenWL]

Nice to see a headline like this in the @WSJ The public needs to appreciate that chemists, biochemists, and biologists are the ones who will provide the remedies for #COVID19 .

[Christopher Southan @cdsouthan]

Looking forward in one hour to @mqzspa mentioning @GuidetoPHARM information page https://t.co/3eR1rE9jfL (cc @covid_moonshot @OSCovid19 @WikidataCOVID19 @MichaelKGilson @KansasSci)

[PostEra @PostEra_AI]

@covid_moonshot now has a structure on the ~400 nm compound designed by @OleinikovasV! What's also cool is that this compound is just one step from widely available building blocks and in @Enamine REAL Space...

https://t.co/PYnv9afp5l

[COVID Moonshot @covid_moonshot]

New tool developed to support Moonshot will be opened up by @PostEra_AI soon!

[Matthew Todd @MatToddChem]

With the rise of #COVID19 many ppl are talking about #openscience as a better/quicker way to research new medicines. There are many relevant initiatives. We've summarized the ones we know about in "Open Science Approaches to COVID-19" https://t.co/b3oaaVsX43 @F1000Research 1/3

[William L. Jorgensen @JorgensenWL]

We did consensus docking on 2000 known drugs; obtained & assayed 17; 14 found as Inhibitors of the Main Protease of SARS-CoV-2; 2 with 5 uM IC50. https://t.co/Im41VDUQV1 #COVID19 @YaleChem

[Practical_Fragments @PracticalFrag]

My current company, Frontier Medicines, is expanding! Multiple openings in biochemistry, chemical biology, computational chemistry, protein sciences, informatics and more. Great science, team, & environment in South San Francisco. #FBLD https://t.co/2x4n0j1UWC @Chemjobber

[OSC19: Open Source COVID19 drug discovery @OSCovid19]

@QuantumTessera @macinchem Yes, we have protease inhibition data. We will also be pursuing crystal structures and viral assays.

[OSC19: Open Source COVID19 drug discovery @OSCovid19]

An update on our progress. We've screened bazillion molecules and have narrowed our focus to GC-376 and similar peptidomimetics. We will optimize these molecules for better potency and pharmacokinetics.

[K-State Cancer Research @KStateCancerRes]

Research consortium led by cancer research faculty member Dr. Ho-Leung Ng @KansasSci, in @KStateBMB, uses artificial intelligence to find promising drugs for COVID-19 treatment. https://t.co/C3SDIH8rvw

[Olexandr Isayev 🇺🇦🇺🇸 @olexandr]

New preprint. OpenChem: @PyTorch toolkit for #compchem and drug design. Amazing work by @mariewelt, grad. student @CMUPittCompBio & my lab! This work is supported by @MolSSI_NSF & @NVIDIAAI fellowships to Mariya.

[Peter Kenny 🇹🇹🇬🇧🇧🇷🇺🇦🌻🇪🇺🇲🇦🇬🇱 @pwk2013]

Here's a new blog post on #SARSCov2 #MainProtease #mpro inhibitors #covid19 #coronavirus #CysteineProtease #MedChem #DrugDesign #FBLD #FBDD #peptidomimetic @covid_moonshot @OSCovid19 https://t.co/jM7jAYfvnn

[aled edwards @aledmedwards]

This is wicked cool! @MedsforMalaria launches an open (no patent) drug discovery initiative called Malaria Libre. @thesgconline and friends will do what we can to pitch in. @M4KPharma @AgoraOpenSci @O_S_M @TheNeuro_MNI @Sagebio

https://t.co/Roo7ljqanH

[OSC19: Open Source COVID19 drug discovery @OSCovid19]

@aledmedwards @thesgconline Press releases help get the message to the public.

[OSC19: Open Source COVID19 drug discovery @OSCovid19]

https://t.co/qxfo3FGlld

[OSC19: Open Source COVID19 drug discovery @OSCovid19]

Work with us on COVID19 drug discovery! Funded position in Toronto.

[Alan Aspuru-Guzik @A_Aspuru_Guzik]

Finally, we are looking for a computational chemist/bioinformatics/AI postdoc to fight #covid19 computationally and experimentally. Jointly supervised with @mattschap @KansasSci and myself. Masoud Vedadi is experimental collaborator! 5/6

[Peter Kenny 🇹🇹🇬🇧🇧🇷🇺🇦🌻🇪🇺🇲🇦🇬🇱 @pwk2013]

@OSCovid19 @covid_moonshot Some notes on mapping the #StructureActivity relationship for #peptidomimetic #SARSCov2 #MainProtease inhibitors #COVID19 #coronavirus #antiviral #MedChem #DrugDesign #DrugDiscovery
https://t.co/4vTj8uY3Tw

[aled edwards @aledmedwards]

COVID vaccine. Is it not best to tell it like it is? Unless signal is incredibly strong, the most advanced vaccine trial is formally due to read out in summer of 2021. Data from pregnant, sick and older folks will likely come much later. Wear masks, avoid crowds, stay safe(r).

[Peter Kenny 🇹🇹🇬🇧🇧🇷🇺🇦🌻🇪🇺🇲🇦🇬🇱 @pwk2013]

@covid_moonshot @OSCovid19 Potential for linking 'reversible' #warhead to #fragment-derived inhibitor x2646 (data in ref 9 relevant if using amide N as synthetic handle) #covid19 #sarscov2 #coronavirus #MainProtease #FBDD #FBLD #SBDD #MedChem #DrugDesign https://t.co/FkN4AecHj9

[COVID Moonshot @covid_moonshot]

Happy Friday everyone! It's that exciting time again when Moonshot releases our next set of data. Over 500 assay results and 100 crystal structures are now available on the site: https://t.co/0M9s7yo8D9

Read the full deep-dive here: https://t.co/G3wjqBjCUk

[aled edwards @aledmedwards]

Listening to @CR_UK give a talk on drug discovery partnership with AZ. Interesting that key metrics of success include patents, but not ensuring cancer patients around the world have equitable access to resulting medicines (which they won’t). The world needs a rethink.