🚨ANNOUNCEMENT🚨
The @covid_moonshot is now published in @ScienceMagazine! The paper reflects the major contributions of the FAH community and a global network of scientists collaborating to make drug discovery open, globally accessible, and affordable scim.ag/4LB
Nov 10, 2023 · 3:44 PM UTC
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Recap: the Moonshot started with the Diamond Light Source (DLS) at Oxford conducting fragment screen for compounds. Experimental structures like these are the foundation for many efforts, including but not limited to FAH work units.
youtube.com/watch?v=6d0MXg-5…
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As this worldwide collaborative effort expanded to crowdsource molecule ideas that target an inhibit the #SARSCoV2 Main protease (see our #FAHMeetTheProteins post on it), in parallel our citizen science contributions helped us build the world’s largest distributed supercomputer!
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This global firepower enabled our FAH sprints! Your GPUs helped prioritize which molecules to test for inhibitor activity against #SARSCoV2 protease, accelerated by critical developments in our simulation engine @openmm_toolkit @openforcefield with help from @nvidia & @amd
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These worldwide contributions helped us build a optimization cycle where compounds were proposed, prioritized, made, and tested for inhibitor activity to drive inhibitor improvement in an iterative fashion
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Together, we built a drug design cycle that satisfied our criteria for an inhibitor candidate in 2 years - Normal pharmaceutical development takes about 10 years - Together we achieved this in 5X less time! We posted our progress in a preprint
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This preprint keeps with our commitment to open science: We want to ensure our results are rapidly disseminated for others to leverage and build upon without embargoes. We published our fragments and assay results on datasets online, such as fragalysis:
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Our commitment to open science and rapid dissemination helped develop other inhibitors. Ensitrelvir, a #SARSCov2 inhibitor in Japan currently under trial in the US, was developed using our datasets - you can see the use of our data in Fig/ 2B in the paper:
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We soon got additional support to take our moonshot inhibitor to patients in the form of $11 Million USD from the Wellcome Trust in conjunction with the @WHO Access to COVID-19 Tools Accelerator (ACT-A):
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Current status update: Our antivirals are now headed to the clinic in a preclinical development program led by @DNDi, who are scaling up production to prove its safety for use in patients.
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Our compound, which we want to release patent-free in a straight-to-generics manner, demonstrates antiviral efficacy in mouse models while maintaining an excellent safety profile.
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Looking forward, stay tuned for more sprints! We received $68 million to develop inhibitors against future pandemics via @asap_discovery. We hope that investing a small amount now will give us the antivirals we need to halt future outbreaks from becoming deadly pandemics.
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One of our current targets is #MERS - a virus that kills 30% of those infected in a region of the world living in close proximity to the known animal reservoir. You can keep track of compound progress on the asap discovery website: asapdiscovery.org/pipeline/
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We are always thankful to you, our FAH contributors and citizen-scientists, who donate your time and hardware to help make our sprints, and this Moonshot, possible. Keep up to date with more announcements from us via social media or by joining our discord!
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This multi-year effort was driven by many. Within FAH we want to thank the Moonshot’s architect @jchodera, FAH PIs @drGregBowman @voelzlab, as well contributing FAH scientists @sukritsingh92, @llabrword, @Hannahbruce, @ivyzhang__, Dominic Rufa, and so many more!
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A special shout out goes to the @MSKCancerCenter DigITs team for supporting our HPC and FAH physical infrastructure and the AWS Public Datasets team for helping us share our massive volume of simulation data: registry.opendata.aws/foldin…
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We’re also especially grateful to the AWS Disaster Response team for their enormous support in keeping FAH going during our COVID19 work, as well as companies such as @Github who ran work units using donated compute:
Starting later today, GitHub is donating up to 60,000 core-hours per day of idle GitHub Actions compute capacity to Folding@Home's efforts to find drug treatments for 2019-nCOV. foldingathome.org/2020/02/27…
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For a complete list of all the moonshot contributors, check out the full list at the end of the paper or in the SI:
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Lastly, we want to thank all the institutions that provided resources for these scientists to band together and drive this open-source drug discovery effort @DNDi @MSKCancerCenter @DiamondLightSou @UniofOxford @WeizmannScience @PostEra_AI
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