Yuhang-CADD
commented
11 months ago Progress:
Open mattodd opened 11 months ago
Yuhang-CADD
commented
11 months ago Progress:
mattodd
commented
11 months ago Adrian Lloyd's presentation from today:
rhanson1046
commented
11 months ago Thanks. It was an informative meeting today. Bob H
From: Mat Todd @.> Sent: Wednesday, December 20, 2023 3:34 PM To: opensourceantibiotics/murligase @.> Cc: Hanson, Robert @.>; Team mention @.> Subject: Re: [opensourceantibiotics/murligase] Yuletide Mur Ligase Meeting December 2023 (Issue #106)
Adrian Lloyd's presentation from today:
201223 OSA ATP Ap4A Up4A.pptxhttps://github.com/opensourceantibiotics/murligase/files/13732769/201223.OSA.ATP.Ap4A.Up4A.pptx
— Reply to this email directly, view it on GitHubhttps://github.com/opensourceantibiotics/murligase/issues/106#issuecomment-1865173819, or unsubscribehttps://github.com/notifications/unsubscribe-auth/ANGWX5LP26SQZSZNFFKXBHLYKNKVFAVCNFSM6AAAAABAZQRMDCVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTQNRVGE3TGOBRHE. You are receiving this because you are on a team that was mentioned.Message ID: @.***>
mattodd
commented
10 months ago New paper on accumulation and drug design pinged to us by @gfsfernandes https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c01831
Date: Dec 20th 2023 Time: 2pm UK time other timezones
Place: https://ucl.zoom.us/j/91379419977
Recording: https://youtu.be/HxW3dRa1MQE?si=BPLLbLV-KhxIJ9nk
Previous Meeting: #104 Who can come?: Anyone. No need to say anything unless you'd like to.
Apologies:
Decks: Please @opensourceantibiotics/murligase remember that if you share slides/info, to drag and drop those into a comment on this page, below. Very easy and saves @mattodd having to pester you.
Agenda:
Key things today are:
i) Multi-targeting compounds identified from Warwick and Atomwise collections. Updates on any new IC50 or crystallographic or microbiology data.
ii) Any data from Warwick on the contributed AZ compounds?
(please add if you'd like to prioritise anything)
1) Multi-targeting Compounds from the Warwick/NEU Enamine Collection and Atomwise Compounds
2) Multi-targeting Elaborated Fragments from Diamond Fragment Screen
3) Variants of AZ Compounds
4) New Protein Structures
No new structures to add to the PDB list.
5) De Novo Computational Modelling
@Yuhang-CADD has paused synthesis of @jhjensen2's originally-suggested compounds (last update was here while the AZ derivatives are being made.
6) CC4CARB Proposal (#93)
7) Misc/AOB
Last time @AJLloyd105 reported on the evaluation, enzymatically, of "double-headed" compounds containing uridine and ATP binders: . These were found to be binders and will be investigated further (need to upload deck). @AJLloyd105 to update as appropriate.
8) Mothballs (if no actions then these need to be linked in wiki and closed)
@mattodd is in the process of converting old items to the wiki
Next Meeting
L'esprit de l'escalier
If you'd like to follow up after the meeting, please comment below. You can also email, but please be clear if anything in the email should not be public domain - the default is always open.