Structural Genomics Consortium (SGC)

CACHE 7 is launched with support from the @gatesfoundation.bsky.social and unpublished data from Damian Young at @bcmhouston.bsky.social, Tim Willson @thesgc.bsky.social and Neelagandan Kamaria InSTEM. Design selective PGK2 inhibitors. We'll test them experimentally.
bit.ly/4lnVYOs

Protein–ligand data at scale to support machine learning - Nature Reviews Chemistry Target 2035 aims to develop a potent and selective pharmacological modulator for every human protein by 2035 with the results made publicly available. This Roadmap article sets out how that will be ac...

UCL, with @thesgc.bsky.social and scientists from 30 leading organisations, has published a landmark roadmap in @natrevchem.nature.com‬, outlining a global, open science strategy to scale up hit discovery efforts for every human protein. #Target2035 #DrugDiscovery
www.nature.com/articles/s41...

Check how we are going to transform early-stage hit-finding into a data-driven, computational process driven by open science.

www.nature.com/articles/s41...

CACHE4 results are out! All previously known CBLCB ligands shared the same scaffold. Congrats to Keunwan Park who successfully designed a chemically novel series, to the experimental team at @thesgc.bsky.social and thanks to @conscience-network.bsky.social for greasing the wheels! bit.ly/4mYNe3r

The last talk of the day at the 11th Novalix Conference “Biophysics in Drug Discovery” was the terrific keynote lecture by Stefan Knapp on "Comprehensive Characterization of Chemical Tools and New Modalities such as PROTACs".
@thesgc.bsky.social

First DREAM Target 2035 Drug Discovery Challenge 'First DREAM Target 2035 Drug Discovery Challenge' (Synapse ID: syn65660836) is a project on Synapse. Synapse is a platform for supporting scientific collaborations centered around shared biomedic...

@thesgc.bsky.social is generating large/open screening data and inviting data scientists to train their ML models via DREAM challenges:
1- train your model on DEL data
2- retrospectively predict 138 ASMS true positives
3- predict new hits. We will test them and publish together.
bit.ly/3YXVKoT

AI drug development’s data problem The future of drug discovery may be artificial intelligence (AI), but its present is not. AI is in its infancy in the field. To help AI mature, developers need nonproprietary, open, large, high-qualit...

Advancing AI-driven drug discovery begins with open, high-quality data. A great editorial with the authors highlighting how openly accessible datasets have historically accelerated scientific breakthroughs and spotlighting our open data platform: aircheck.ai

More: www.science.org/doi/10.1126/...

First DREAM Target 2035 Drug Discovery Challenge 'First DREAM Target 2035 Drug Discovery Challenge' (Synapse ID: syn65660836) is a project on Synapse. Synapse is a platform for supporting scientific collaborations centered around shared biomedic...

Advancing ML and drug discovery. @thesgc.bsky.social is now starting to generate protein-ligand data at scale. We’re partnering with CASP, CACHE and DREAM/Sage to run challenges on these data, and help critically assess computational hit-finding methods. Participate!
www.synapse.org/Synapse:syn6...

High-throughput protein target mapping enables accelerated bioactivity discovery for ToxCast and PFAS compounds Chemical pollution is a global threat to human health, yet the toxicity mechanism of most contaminants remains unknown. Here, we applied an ultrahigh-throughput affinity-selection mass spectrometry (A...

Just out. Using the new @thesgc.bsky.social variation of ASMS, Diwen piloted the idea of identifying protein targets of environmental toxins. Lots of data on how old and new PFAS’s bind different members of the human fatty acid binding protein family.

www.biorxiv.org/content/10.1...

Reimagining Drug Development: Moving Beyond Patents — M4K Pharma By Max Morgan The pharmaceutical industry has faced a crisis of declining productivity in recent years. The number of new drugs coming to market has decreased, even as research and development costs...

A timely and thought-provoking publication proposes rethinking traditional patent-based drug development models. Regulatory exclusivities could better facilitate open science, and collaboration, and focus innovation on unmet medical needs.
m4kpharma.com/newsandblogs...

In the past two decades, we've distributed over 5,200 plasmids through Addgene, supporting research at 1,084 organizations in 55 countries.

Episode 5: CACHE – Benchmarking Computational Hit Discovery Target 2035 Podcast series · Episode

Want to learn more?

🎙️ The Target 2035 podcast breaks down CACHE challenges: open.spotify.com/episode/0bLH...

🎤 The Conscience Symposium on Open Drug Discovery
will feature CACHE participants: conscience.ca/symposium2025

🔗 Learn more about CACHE Challenges: conscience.ca/cache-challe...

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13 A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target...

The CACHE #2 challenge focused on predicting ligands for the SARS-CoV-2 Nsp13 helicase, a key COVID-19 target. 23 teams applied diverse computational strategies, and SGC confirmed hits with inhibitory activity with biophysical assays.
@conscience-network.bsky.social

chemrxiv.org/engage/chemr...

🚀 100 scientists. 31 countries. And we’re just getting started.

#MAINFRAME is uniting global experts to drive AI-powered hit finding. ML models trained on real experimental data. Predictive tools tested in the lab.

🔗 Now is the time to join: aircheck.ai/mainframe

Nicola Burgess-Brown Webinar Announcement

Join us for the next ProteoCure Webinar on March 20th at 1PM (CET)! Nicola Burgess-Brown from @thesgc.bsky.social will discuss how you can contribute your proteins for screening and obtain protein ligands! Learn more here: proteocure.eu/proteocure-w.... Don't miss out!

The CACHE #2 preprint is now online: bit.ly/3DyCmHN Active learning and fragment growing delivered confirmed hits. A citizen scientist using the Fold-it gaming interface designed the top compound! Kudos to Sasha and Madhushika @thesgc.bsky.social at the bench. @conscience-network.bsky.social

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13 A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target...

"CACHE Challenge 2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13" is out now on ChemRxiv: dx.doi.org/10.26434/che...

You can find a discussion of our workflow and designed compound in the preprint (WF1438), which was among 13 compounds confirmed to bind to Nsp13.

The Chemical Probes Portal now covers 601 protein targets, expanding resources for chemical biology & drug discovery! 🧪🔬 New high-quality probes target DCTPP1, MASTL, HCN1, plus E3 ligases & PROTACs for protein degradation. Learn more: www.chemicalprobes.org/news/600-tar... #ChemicalProbes

DMOS program funds three projects working towards treatments for rare diseases - Conscience We are proud to announce the first three recipients of funding via our Developing Medicines through Open Science program. These grantees are working towards treatments and cures for three rare disease...

#RareDiseaseDay tomorrow, we are proud to announce the first three recipients of our Developing Medicines through Open Science (DMOS) program! These projects focus on three rare diseases that currently lack effective treatments. Read the press release here: conscience.ca/news/dmos-pr...

Structural Chemistry of Helicase Inhibition Helicases are essential motor enzymes that couple nucleoside-triphosphate hydrolysis with DNA or RNA strand unwinding. Helicases are integral to replication, transcription, splicing, and translation o...

A new study revealed 4 distinct mechanisms through which small molecules can inhibit helicase activity. Through their analysis, they identified key binding pockets that could be targeted for drug discovery and development for cancer and infectious diseases.

pubs.acs.org/doi/10.1021/...

The AIRCHECK Workshop isn't just another conference! It is an exclusive opportunity to learn, experiment, and get ahead of the curve in ML/AI-driven hit discovery.

Register now: event.fourwaves.com/aircheckwork...

An inspiring story that we are extremely proud to be part of! Kudos to David Drewry and Opher Gileadi who worked along with Paul Workman to identify small molecules that target a historically undruggable transcription factor.

Read their publication: www.nature.com/articles/s41...

Can you love computational work and experimental research at the same time? @mattschap.bsky.social and
@rjharding.bsky.social have kicked off the first CrossTALK Bootcamp and they are ready to bring together the next generation of drug discovery experts!

www.thesgc.org/blogs/bridgi...

Meet the Expert: Alison Axtman Dr. Alison Axtman, PhD, researches and provides chemical tools to the larger scientific community so that new therapeutic remedies can be developed

A great article on Alison Axtman and her work on chemical tools for drug discovery targeting disease-related proteins.

carolinapharmacy.org/2025/02/11/m...

#OpenScience #MedicinalChemistry #DrugDiscovery

On the International Day of Women and Girls in Science, we take a moment to highlight the amazing work of @rjharding.bsky.social, who has been recognized by CIHR for her research on Huntington's Disease.

www.thesgc.org/news/dr-rach...

Development and Discovery of a Selective Degrader of Casein Kinases 1 δ/ε Members of the casein kinase 1 (CK1) family have emerged as key regulators of cellular signaling and as potential drug targets. Functional annotation of the 7 human isoforms would benefit from isoform...

🥳New paper from the lab!🍾 Excited to share our work with the Stefan Knapp lab (Goethe Uni, @thesgc.bsky.social & DKTK), published in J. Med. Chem. @pubs.acs.org. Here, we present the first degraders (PROTACs) targeting CK1 δ/ε—highly selective across the kinome & within the Casein kinase 1 family. 🧵

We are uniting experts in ML, computational chemistry, and drug discovery to get hands-on experience with AIRCHECK. Co-developed by SGC and @uhntoronto.bsky.social, AIRCHECK is an open data platform designed to enhance predictive models in drug discovery.

event.fourwaves.com/aircheckwork...

Liver X receptor unlinks intestinal regeneration and tumorigenesis - Nature Liver X receptor drives epithelial Areg-mediated intestinal regeneration, while preventing tumour growth through adaptive immune responses.

>20 yrs ago, while at GW, now @thesgc.bsky.social UNC scientist Tim Willson and his team invented (and then shared) LXR agonist GW3965. And that GW3965 #chemicalprobe is still having an impact, including in a new study in which we played a small role.
www.nature.com/articles/s41...

A lovely lunch of Arrowsmith lab and @thesgc.bsky.social friends celebrating Lunar New Year.

Probing the Protein Kinases′ Cysteinome by Covalent Fragments Despite extensive research on covalent kinase inhibitors, much of the protein kinases’ “cysteinome” remains unexplored. Here, we outline a generalizable approach to sample ATP-site cysteines with fra....

We identified 18 kinases with 19 cysteine sites, targeted for the first time! Our group developed a library of small molecules that can attach to kinases and systematically tested this library on 47 kinases with 60 cysteine sites near the ATP-binding pocket.
onlinelibrary.wiley.com/doi/10.1002/...