TomkUCL
commented
2 years ago Sure, I will have a dig around and see what can be found.
An initial quick looks suggests NMR, surface plasmon resonance, X-ray crystallography, thermal shift, or affinity capture, but I will expand further when I find something: https://pubs.acs.org/doi/full/10.1021/acs.jmedchem.6b00197?src=recsys Keserű GM, Erlanson DA, Ferenczy GG, et al., Design principles for fragment libraries: maximizing the value of learnings from pharma fragment-based drug discovery (FBDD) programs for use in academia. J Med Chem. 2016;;59(18):8189–8206.
mattodd
Hi all (@edwintse @TomkUCL) we need another Nsp13 biophysical assay for the compounds we're making. We know of fragment soaking at Diamond, though currently the throughput is quite low. We know of the helicase assay at the Crick and the excellent ATPase assay at Toronto (where we'll be sending compounds predicted to inhibit), but these are enzymatic inhibition assays, and I'd expect most of the fragment-like compounds we're making/procuring at the moment will not hit. We need SPR, thermal shift, NMR for the detection of e.g. double digit micromolar binding. There's the possibility we can set up an SPR assay here in UCL, but it'll take time and a bit of money.
Are there other solutions here that exist already? Can you do some recent lit digging and online detective work? We ideally will need to evaluate 50 compounds per month for the next 6 months. Guessimate.