Practical_Fragments

Artifacts against a SARS-CoV-2 target exposed! A cautionary tale shows the importance of compound resynthesis and purification practicalfragments.blogspot.com/2026/03/malici… @ACSPublications

Before trusting a chemical probe or advancing a lead compound, a selectivity check is crucial. But cell-free (DiscoverX @EurofinsGroup ) and cell assays (NanoBRET @promega) can yield different answers for kinases. practicalfragments.blogspot.com/2026/03/select… @Chemical_probes @ACSPublications

A technique to find the binding mode of fragment-sized millimolar binders? Hydrogen/deuterium exchange MS (HDX-MS) gets at least 2/3 for CyclophilinD: practicalfragments.blogspot.com/2026/03/best-p…

Dimer detection, binding kinetics, and more: A wealth of biophysics techniques from @novalix_pharma conference in San Diego: practicalfragments.blogspot.com/2026/02/twelft…

3D fragment hit rates are lower, but perhaps advancement goes faster. A shapely scaffold yields an impressive hit for the histamine H1 receptor. practicalfragments.blogspot.com/2026/02/3d-fra… @RoySocChem

A fragment becomes a trimer and a potent inhibitor of lipoprotein(a) formation. How a rule-of-3 compliant fragment became an unconventional but promising phase 3 candidate for CV disease: practicalfragments.blogspot.com/2026/02/multiv… @ProfSNicholls ⁩ ⁦@MonashVHI⁩⁦ @Nature⁩ @EliLillyandCo

Crystallographic SAR Hits from high-throughput X-ray screens of crude mixtures can be broken down into fingerprints that identify new binders that crude extract X-ray screening miss practicalfragments.blogspot.com/2026/02/xsar-c… @UniofOxford @DiamondLightSou @FrankvonDelft

Fragment merging finds submicromolar binders for a kink in a leucine zipper practicalfragments.blogspot.com/2026/01/fragme… In @NatureComms, @Novartis researchers find binders for a difficult melanoma target, the transcription factor MITF

The shapeliness debate has run for decades. A new analysis compares metrics of molecular 3D shape practicalfragments.blogspot.com/2026/01/how-be…

Planning your travel year? Here's a list of fragment-related conferences practicalfragments.blogspot.com/2026/01/fragme… @CHI_Healthtech @novalix_pharma

Same info, less data. Dose-response time courses are essential to assess covalent binders, but some times are more telling. Diagonal DRTC (dDRTC) use 1/8 data points but still agree with conventional DRTC practicalfragments.blogspot.com/2026/01/a-new-… From our team @FrontierMeds

2025's review of reviews covers >25 papers on fragment success stories, targets, biophysical and computational approaches, cryptic pockets, covalent ligands and more practicalfragments.blogspot.com/2025/12/review…

New probe and negative control for epigenetic reader. In a follow-up of previous work, @UMich researchers merge molecules, med chem, and structural insight to make a cell-permeable inhibitor of GAS41 YEATS domain practicalfragments.blogspot.com/2025/12/gas41-… @ACSPublications

Is that inhibitor really non-covalent? @ChristiansonLablooks at @GSK PDE3B binder & shows why scientific self-correction needs data availability: practicalfragments.blogspot.com/2025/12/surpri… Bonus: targeting histidine with boronic acids @ACSPublications

New NMR technique for FBDD can measure 144 binding affinities a day. Most NMR methods detect individual atoms, SHARPER NMR consolidates signals for entire molecules, speeding data acquisition. practicalfragments.blogspot.com/2025/12/a-shar… @nmr900 @ACSPublications

A new ligand efficiency metric normalizes for compound size, so values no longer plateau as a molecule grows. What sorts of decisions can that guide? practicalfragments.blogspot.com/2025/11/xle-so… @AstraZeneca

Computational screening tool FrankenROCS starts with promising pairs of fragments, then hunts for commercially available molecules against @EnamineLtd vast catalog. Two mega screens find non-charged hits against the macrodomain of SARS-CoV-2 practicalfragments.blogspot.com/2025/11/search… @fraser_lab

Fragment screen + fragment growing = the makings of a stereospecific chemical probe for RhoGDI2 ligand, a guanine nucleotide dissociation inhibitor practicalfragments.blogspot.com/2025/11/fragme… @ACSPublications

Metal-chelating fragments in pursuit of synthetic lethality yield a chemical probe inhibitor for the endonuclease FEN1 practicalfragments.blogspot.com/2025/10/fragme… @ACSPublications

Is that halogen bond for real? An analysis of >16,000 structures provides a way to score potential halogen interactions between ligands and proteins practicalfragments.blogspot.com/2025/10/checki…