I just noticed the interface has been updated and it’s showing 81 compounds have been assayed
What assay(s) have been run and how are the results going to be provided to enable further design?
1 Like
Hi, thanks for the question. So you are correct that these 81 compounds have indeed been assayed. The group at Oxford is currently double checking the results with enzymolgists and screening experts to make sure we are relatively confident in data before releasing (turns out that spinning up an assay so quickly is quite a tricky task 
). Don’t want to release anything misleading, but hoping results will be up by end of the week.
We are also now in the process of attempting to set up a similar assay at Weizmann.
We will definitely tweet once the inhibition data is up.
3 Likes
Hi,
I was wondering if we have any experimental data so far, for example, biochemical binding assays and /or biological activity assays on the XChem fragments, which were used to design all other compounds that are submitted under COVID-19 Submissions.
I am running binding affinity calculations on the fragments. So, I am looking for experimental assay data on the fragments to validate the predictions.
Looks like there are result headers up on the compound tracker page - am I the only one not seeing anything?
The headers say tested at ‘20mM’ and ‘100mM’ - hopefully this means micromolar rather than millimolar?
Please can we have a full assay description - if not already somewhere I’ve missed.
Hi, yes, good catch @krisbirchall – those are indeed uM. The results are actually initially up on the website more for navigation sake. We are still getting the protocol written up for final release. We also have around 20 new crystal structures available on Fragalysis https://fragalysis.diamond.ac.uk/viewer/react/preview/target/Mpro, but we are waiting to release everything to Twitter and a larger crowd until everything is annotated correctly.
1 Like
Appreciate all your patience, we are trying to move as quickly as possible – but unfortunately science (and web development) still take time!
2 Likes
You lot are working miracles. Take your time and do it right. it’s brilliant what you’ve been doing.
2 Likes