Practical_Fragments
@PracticalFrag
Followers
1K
Following
19
Media
1
Statuses
335
A blog founded by Teddy Zartler and run by Dan Erlanson for Fragment-based Drug Discovery devotees to discuss non-confidential issues regarding fragments.
Joined February 2019
Upcoming fragment meet-ups: An updated list of conferences for the rest of 2025 and into 2026.@CHI_Healthtech @FBLDconference @novalix_pharma.
0
1
3
Agonists and inverse agonists for metabolic/diabetes target HNF4 (hepatocyte nuclear factor 4) using cell-based optimization of fragments.@ACSPublications.
0
0
1
Finding ligands for RNA: the enthalpy, the entropy, & the limited benefits of positivity.@ACSPublications.
0
0
3
Careful, meticulous work on SARS-CoV-2 RNA finds hits, and suggests just how tough these targets could be.@angew_chem.
0
0
0
Promising pockets on RNA: small-molecule binding sites found computationally with fpocketR and validated by experimental fragment screening. Complex RNA structures more likely to be ligandable than simpler ones.
0
0
4
Unknown rings are bioactive - researchers sought out previously unmade fragments and matched them with likely protein targets to find tiny actives. Within chemical space, little gems remain to be mined .@ACSPublications @unibern.
0
0
2
High-throughput crystallography of >1000 crude reaction mixtures screened against oncology target PHIP(2) takes fragment with no activity to mid-micromolar inhibitor.@FrankvonDelft @philbiggin @DiamondLightSou @BiochemOxford @angew_chem @GrosjeanHarold.
0
1
4
A macrocyle that prefers active KRAS.Fragment screens against active form of cancer target #KRAS lead to macrocycles that exploit a new pocket near the switch I-II pocket.@CRUKScotland @JMedChem @Novartis.
0
1
5
NMR for FBLD gets a boost via a clever new pulse sequence. Focusing on ligand protons reveals bound structure for KRAS hits.@stem_univie @ETH_en @ETH_DCHAB @nmr900@ETH@J_A_C_S.
0
2
5
Protein-detect NMR without isotopic labeling.ECHOS-ID technique from @abbvie sheds burdensome requirement but still finds weak binders.@ACSMedChemLett.
0
1
3
This year's CHI Drug Discovery Chemistry in San Diego featured a wealth of improved techniques for covalent and non-covalent fragment screens, success stories, and enabling chemistries.@CHI_Healthtech.
0
0
2
Probing the cysteinome: 47 hinge-binding fragments crossed with 47 protein kinases yields potential drug starting points plus some general wisdom.@uni_tue @angew_chem.
0
0
1
Affinity vs reactivity: how size matters for finding covalent fragment hits.Analysis by @keserulab @ACSPublications.
0
1
5
On this special day, SkyFragNet launches a new cryptocurrency to help train its AI engine!.
0
1
3
Nanodiscs make membrane proteins available for screening. They also find lots of nonspecific binders.Team @ubleiden explores how to avoid artifacts in fragment screens.
0
0
4
Fragment-screening and intense biological sleuthing leads to a chemical probe for eIF4E, part of a protein complex for oncogenic protein synthesis.@ICR_London @Astex @NatureComms.
0
0
7
Synthesis without purification still yields clear fragment hits. 'Direct-to-Biology' screens crude reaction mixtures & yields covalent and noncovalent inhibitors of SARS-CoV-2 main protease.@angew_chem @Jake_T_Bush @GSK.
1
2
11
New technique, PEARLscreen, shrinks amount of protein required for NMR ligand-detected screens by an order of magnitude.@ETH_DBIOL @nmr900 @angew_chem.
0
1
3
Efficient search of vast chemical space:.Multimillion fragment docking screen yields submicromolar OGG1 inhibitor after just a few dozen synthesized molecules.@CarlssonLab @NatureComms.
0
0
2
A pro-prodrug targets glioblastoma, and illustrates advantages of fragment-based drug discovery for CNS drugs.@yujungche @MSKCancerCenter @David_hsieh_23 @hrldelias @TaoWang_Jessica @IyerSwatsv.
0
0
6