Developments and challenges in hit progression within fragment-based drug discovery - Nature Communications This review maps key bottlenecks in turning fragment hits into lead compounds and highlights emerging solutions: integrated Design-Make-Test cycles, high-throughput assays, automation and modelling to...

Happy to share our review published in @natureportfolio.nature.com with @philbiggin.bsky.social.

Here we discuss recent trends in fragment-based drug discovery and their place in modern DMT cycles.

We hope you enjoy it as much as we enjoyed writing it!

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

Developments and challenges in hit progression within fragment-based drug discovery - Nature Communications This review maps key bottlenecks in turning fragment hits into lead compounds and highlights emerging solutions: integrated Design-Make-Test cycles, high-throughput assays, automation and modelling to...

Finally, the fully-typeset version of @haroldgrosjean.bsky.social's review "Developments and challenges in hit progression within fragment-based drug discovery" is online www.nature.com/articles/s41....

Congratulations Harold! @oxfordbiochemistry.bsky.social

Happy to share our @chemicalscience.rsc.org paper where we extract a SAR model from HT crystallographic readouts of fragment elaborations in crude reaction mixtures!
Thanks to @kate-fieseler.bsky.social for co-writing and @philbiggin.bsky.social!
doi.org/10.1039/D5SC...
#MyFirstChemSci #FBDD #D2B

Structure–activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures Fragment-based drug design offers multiple routes to advance from fragments. One approach is to build structure–activity relationships (SAR) from analogue series in direct-to-biology workflows. Analog...

Congratulations @haroldgrosjean.bsky.social and @kate-fieseler.bsky.social on their paper explaining how to extract SAR data from throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures. Awesome work!

pubs.rsc.org/en/content/a...

🚨New preprint
We extract structure–activity relationships (xSAR) directly from HT crystallography of crude reaction mixtures
⚡No hit resynthesis = faster DMTA
📄 doi.org/10.26434/che...
@oxfordbiochemistry.bsky.social
@diamondlightsource.bsky.social
@opig.stats.ox.ac.uk
@philbiggin.bsky.social
#FBDD

🚨 Binding-Site Purification of Actives

🦾 With robotic chemistry, automated QC & HT crystallography, we skip purification for faster, greener, cheaper SAR and DMTA-cycles!

🔗 doi.org/10.1002/anie...

Thanks to @diamondlightsource.bsky.social @oxfordbiochemistry.bsky.social & co!

Binding‐site purification of actives (B‐SPA) enables efficient large‐scale progression of fragment hits by combining multi‐step array synthesis with HT crystallography Fragment approaches are long-established in target-based ligand discovery yet their full transformative potential lies dormant, because progressing hits to potency remains underserved by methodologic...

Congratulations to Harold Grosjean, Anthony Aimon, Storm Hassell-Hart and Warren Thompson, on their latest work appearing in @angewandtechemie.bsky.social, where small-molecule binders can be extracted directly from crude-reaction mixtures - cool!

onlinelibrary.wiley.com/doi/10.1002/...