OSA Meeting Friday Oct 15th 2021 (NO MEETING 8th OF OCTOBER)

mattodd commented 3 years ago

Placeholder for next meeting. I can't make 8th, so let's make it 15th. Agenda items etc can be added below.

Meeting Oct 15th 2021 at 2pm UK time at https://ucl.zoom.us/j/92800004715. Follows on from #95

On the call: @mattodd @drc007 @danaklug @edwintse @QSimpson @loriferrins @danielgedder @MFernflower and Thomas Kresina.

PREVIOUS ACTIONS

[x] @danaklug to make high-priority-tolyl-compound. Done - will be included in next testing round.
[ ] ALL: consider SAR holes identified in #94
[x] @danielgedder to ship compounds to London for eval at end of Oct - looks like about 7 compounds.
[x] @QSimpson @loriferrins to finalise list of potentially useful compounds that could be shipped for eval at end of Oct - @danaklug and @QSimpson to get together to finalise list such that compounds can be evaluated at the end of the month.
[ ] @MFernflower to capture commercial searching in part of molecule procurement workflow in wiki here
[ ] @QSimpson to see whether an open CDD sheet/vault is Googleable
[ ] @drc007 to look into solutions for converting master list to something Googleable. Chris has implemented this - he's running something locally that extracts the data, then uses RDkit to create images of structures, then sends that to this html page that is on the mur ligase repository. Useful because we can link to it and it should be Googleable. It's not possible to have a Readme up top, so it's important that the sheet contains links for the molecules so that interested viewers know where to go for more. i.e. the OSA Master List needs to include links to where to go for more. @drc007 to check that the current page is being searched by Google. If works then we need an action item to consider how best to add "more info" links.

Other agenda items: 1) Alex tox conclusions - pushed to next week. 2) As mentioned below, which compounds to ship to NEU for ADME data - pushed to next week.

danaklug commented 3 years ago

Two items to add to the agenda:

Alex will be able to give a tox update.
We have 12 more ADME slots in the NEU assays (LogD, PPB, HLM Clint, rat hepatocyte Clint, aq. sol.) - so would be good to discuss which compounds we would like to have evaluated.

danaklug commented 3 years ago

Scratch Alex, she's had something come up at the last minute and has had to reschedule for next week.

mattodd commented 3 years ago

Update from Lee Graves: "Yes- the experiments are moving forward to test the compounds in HEK cells. We will do a comparison with a known kinase inhibitor (dinaciclib) to provide a reference to report to you guys. Hope to have the data for you soon"

QSimpson commented 3 years ago

OSA Oct 15.pptx

danielgedder commented 3 years ago

Hello Everyone! I have started to prepare the compounds to be shipped this week. I have started to fill the excel file (compound donation spreadsheet) for the shipment. How many mg do you need? Can you please let me know if there are any other documents that you ask for? Thanks in advance!

danaklug commented 3 years ago

Hello Everyone! I have started to prepare the compounds to be shipped this week. I have started to fill the excel file (compound donation spreadsheet) for the shipment. How many mg do you need? Can you please let me know if there are any other documents that you ask for? Thanks in advance!

Hi Daniel, this is great! We need 1-2 mg of sample, ideally dissolved in DMSO at 3.2 mg/mL concentration. For OSA we don't need any other documents but of course all the required customs documentation must be supplied. If you need help with this we can chat more over email - I'm not sure exactly what's required but we can figure it out together if you prefer :)

lferrins commented 3 years ago

Hello Everyone! I have started to prepare the compounds to be shipped this week. I have started to fill the excel file (compound donation spreadsheet) for the shipment. How many mg do you need? Can you please let me know if there are any other documents that you ask for? Thanks in advance!

Hi Daniel, I am more than happy to send you copies of the paperwork that we use to ship to UCL if that is helpful? Flavio has my email address and could easily connect us!

mattodd commented 3 years ago

Hi @danielgedder @loriferrins @QSimpson @danaklug @edwintse Paul S says "please deliver the compounds to me around 2:30 pm on Wednesday 27th in DMSO and I will test them for you." So there's our deadline! Sound OK for everyone? Paul is also happy to include vancomycin as a control, re discussion at #97

danielgedder commented 3 years ago

Hello everyone, thank you all for the information! I will start to organize all the stock solutions of compounds and schedule with FedEx for the shipment and I hope that they can deliver the samples before the 27th. I used to send compounds abroad using Fedex and it commonly takes a maximum of 5 days. I already have all the documentation ready for the customs. Thanks for offering help!

QSimpson commented 3 years ago

Our shipment was sent yesterday via FedEx, i'll email the tracking numbers for your reference. Hopefully it makes it for this testing cycle.

lferrins commented 3 years ago

Summary of the compounds sent for testing. Compounds_Shipped

danielgedder commented 3 years ago

Hello everyone! The package is scheduled for delivery tomorrow at 10 am. Unfortunately, I could not solubilize the compounds in DMSO, because FedEx did not authorize me to send liquids abroad. So, I have sent the powder. Here is attached the list of compounds and the quantities.

MATERIAL SAFETY DATA SHEET PAGE 1 OF X.pdf

danaklug commented 3 years ago

@QSimpson @loriferrins @danielgedder Amazing. I've entered all of your compounds on the OSA master sheet and I'll make a new issue once I actually have the compounds in hand. No worries at all if you've sent the solids, I'll solubilize them before we hand them off to Paul for testing.

danaklug commented 3 years ago

@danielgedder Your compounds have arrived!

danaklug commented 3 years ago

TESTING HAS BEEN POSTPONED as the NEU compounds have an expected delivery date of Thursday (a customs issue, I suspect). All compounds will now be tested on Nov. 3.

MFernflower commented 3 years ago

@mattodd is it worth moving this week's meeting to the fifth of November due to this issue with customs?

danaklug commented 3 years ago

NEU compounds have arrived! Everything will be tested on Wednesday, results posted to #99

opensourceantibiotics / Series-2-Diarylimidazoles

OSA Meeting Friday Oct 15th 2021 (NO MEETING 8th OF OCTOBER) #96