Open Source Mycetoma (MycetOS) Meeting 28th Sep 2021 - Githubissues

OpenSourceMycetoma / Series-1-Fenarimols

Open Source Mycetoma's First Series of Molecules

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Open Source Mycetoma (MycetOS) Meeting 28th Sep 2021 #64

Open fantasy121 opened 3 years ago

fantasy121 commented 3 years ago

Open Source Mycetoma (MycetOS) Meeting

Meeting Zoom link here

Time: UTC 11:00 - London Noon - Amsterdam 1 PM - Sydney 9 PM - New York 7 AM

Chair: Erasmus

Minute taker: UCL

Recording can be found here

Minutes can found here MycetOS.Minutes.28.Sept.2021.docx

Link to previous meeting #62

AGENDA

1. Outstanding items from previous meeting

[x] 1. Matt will inform if there is an update on the ISNTD conference
[x] 2. Ma will perform in vitro susceptibility testing on the compounds and will inform everyone on github on the outcomes
[ ] 3. The SAR performed by Hung and Kymberly will be checked by Matt and Dimitrij
[ ] 4. Synthesis of compounds and SAR will be added to manuscript
[ ] 5. The compounds needed for in vivo testing based on the SAR will be requested from epichem
[ ] 6. We should streamline the requests from schools to make series 2 compounds. So far it looks like an ideal project in which schools can participate
[ ] 7. Series 5 seems so far an ideal series to look further into. Wendy will ask MMV for more details on the compound series with a hit to check if there are more analogues which can be tested in vitro.

2. Discussion points for this meeting

USYD update
UCL update
Erasmus update

3. Any other businesses?

Meeting adjourned.

4. Action Items for Oct 2021 Meeting

fantasy121 commented 3 years ago

@OpenSourceMycetoma/corecontrib I hope everyone had a lovely weekend. Just a friendly reminder of our meeting tomorrow.

MFernflower commented 3 years ago

I do not think I will be able to attend this meeting

wwjvdsande commented 3 years ago

We will be there. We will be demonstrating the first in vivo results next to the in vitro results. We are still running the experiments but we do have preliminary data.

wwjvdsande commented 3 years ago

Hi @bendndi we determined in vitro and in vivo activity of a new set of MYOS compounds. Now that the results are in I wanted to analyse if the LogD correlation still holds. Can you calculate the LogD of the remaining compounds in the spreadsheet?

For these compounds the LogD is still missing, as well as the rotation bonds, LogP and flexibility. I think you added that last time when you added the LogD values

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| | | -- | -- | -- | -- MYOS_00019_00_01 | HPD8-1 | | OC(C1=CN=CC=C1)(C2=CC=C(C(F)(F)F)C=C2)C3=CC=C(C#N)C=C3 MYOS_00163_00_01 | HPD041-3P2 | | OC(C1=CC=C(Cl)C=C1)(C2=CC=C(Br)C=C2)C3=CC=CC=C3 MYOS_00164_00_01 | HPD049-1P2 | | OC(C1=CC=C(Cl)C=C1)(CC)C2=CC=CC=C2 MYOS_00165_00_01 | HPD050-1P | | OC1(C2=CC=CC=C2)C3=C(C=CC=C3)C4=C1C=CC=C4 MYOS_00166_00_01 | HPD045-1P3Cryst | | BrC(C=C1)=CC=C1C(C2=CC=CC=C2)(O)C3=CN=CC=C3 MYOS_00167_00_01 | HPD046-1P3RepurifyAT | | ClC(C=C1F)=CC=C1C(C2=CC=CC=C2)(O)C3=CN=CC=C3 MYOS_00168_00_01 | HPD047-1P3Repurify | | OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CN=CC=C3 MYOS_00169_00_01 | HPD052-1P4 | | CCC(C1=CN=CC=C1)(O)C2=CC=CC=C2 MYOS_00170_00_01 | HPD054-1P5.3Repurify | | OC(C1=CC=C(Br)C=C1)(CC2=CC=CC=C2)C3=CN=CC=C3 MYOS_00171_00_01 | HPD055-1P3Cryst | | OC(C1=CC=C(Cl)C=C1F)(CC2=CC=CC=C2)C3=CN=CC=C3 MYOS_00172_00_01 | HPD056-1P4Cryst | | OC(C1=CC=CC=C1)(CC2=CC=CC=C2)C3=CN=CC=C3 MYOS_00173_00_01 | HPD053-1 | | OC(C1=CC=C(Br)C=C1F)(CC2=CC=CC=C2)C3=CN=CC=C3 MYOS_00174_00_01 | HPD044-1 | | ClC1=CC=C(C(C2=CN=CC=C2)(O)C3=CC=CC=C3)C(F)=C1 MYOS_00175_00_01 | HPD043-1 | | OC(C1=CC=C(Cl)C=C1)(C2=CC=C(Br)C=C2)C3=CN=CC=C3 MYOS_00176_00_01 | KRS_021_002 | | CC1=CC=NC(NC2=NC(C3=CC=CC=N3)=CS2)=C1 MYOS_00177_00_01 | SSP_2020_Demos | | CC1=CC=NC(NC2=NC(C3=CC=CN=C3)=CS2)=C1 MYOS_00178_00_01 | SSP_2020_8a | | CC1=CC=NC(NC2=NC(C3=CC=CC=C3)=CS2)=C1 MYOS_00179_00_01 | SSP_2020_8b | | CC1=CC=NC(NC2=NC(C3=CC=NC=C3)=CS2)=C1 MYOS_00180_00_01 | SSP_2020_8c | | CC1=CC=NC(NC2=NC(C3=CC=CC=C3Cl)=CS2)=C1 MYOS_00181_00_01 | SSP_2020_8d | | CC1=CC=NC(NC2=NC(C3=CC=CC(Cl)=C3)=CS2)=C1 MYOS_00182_00_01 | SSP_2020_8e | | CC1=CC=NC(NC2=NC(C3=CC=C(Cl)C=C3)=CS2)=C1 MYOS_00183_00_01 | SSP_2020_8f | | CC1=CC=NC(NC2=NC(C3=CC=CC=C3F)=CS2)=C1 MYOS_00184_00_01 | SSP_2020_8g | | CC1=CC=NC(NC2=NC(C3=CC=CC(F)=C3)=CS2)=C1 MYOS_00185_00_01 | SSP_2020_8h | | CC1=CC=NC(NC2=NC(C3=CC=C(F)C=C3)=CS2)=C1 MYOS_00186_00_01 | SSP_2020_8i | | CC1=CC=NC(NC2=NC(C3=CC=CC=C3OC)=CS2)=C1 MYOS_00187_00_01 | SSP_2020_8j | | CC1=CC=NC(NC2=NC(C3=CC=CC(OC)=C3)=CS2)=C1 MYOS_00188_00_01 | SSP_2020_8k | | CC1=CC=NC(NC2=NC(C3=CC=C(OC)C=C3)=CS2)=C1 MYOS_00189_00_01 | KRS_011_002 | | FC1=C(C(N2CCNCC2)C3=CN=CC=C3)C=CC(Cl)=C1 MYOS_00190_00_01 | DM36-1 | | FC(C=C(C=C1)Cl)=C1C(C2=CN=CC=C2)OC3CNC3 MYOS_00191_00_01 | DM37-1 | | ClC(C=C1F)=CC=C1C(N2CCCC2)C3=CN=CC=C3 MYOS_00192_00_01 | DM38-1 | | ClC(C=C1F)=CC=C1C(N2CCC(C#N)CC2)C3=CN=CC=C3 MYOS_00193_00_01 | DM34-1 | | ClC1=CC=C(C(Cl)=C1)C(CC2=CN=CC=C2)=NOC MYOS_00194_00_01 | DM39-1 | | ClC1=CC=C(/C(C2=CC=CN=C2)=N\OC)C=C1 MYOS_00195_00_01 | DM40-1 | | ClC(C=C1F)=CC=C1C(N2CCC(O)CC2)C3=CN=CC=C3

wwjvdsande commented 3 years ago

Thanks @bendndi I have uploaded them in the spreadsheet

mattodd commented 3 years ago

Was the date and time for the next meeting set? Oct 26th? Time? I'd like to invite @AndyBishopSevenoaks (and of course anyone else who would like to come)

wwjvdsande commented 3 years ago

@mattodd I think it is still on the same time. Daylight saving ends on 31 october this year. At least in the EU.

wwjvdsande commented 3 years ago

Not sure if that is the same in other countries though @fantasy121 @kym834