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Send some compounds for MetID profiling #107

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alintheopen opened this Issue Nov 8, 2013 · 8 comments

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Owner

alintheopen commented Nov 8, 2013

Some triazolopyrazines were found to be metabolically unstable in rats. The team need to determine if this translates to human or mouse microsomes or whether it is solely a problem in rat assays. Some triazolopyrazine samples exist at MMV and could be sent for MetID. @JoieG and @PaulWillisMMV will decide which compounds to send for this analysis.

@ghost ghost assigned JoieG Nov 8, 2013

Is there any deadline for this issue? We are keen on troubleshooting this once MetID comes back.

JoieG commented Nov 11, 2013

Here is a list of compounds submitted for both MetID (3 compounds) and microsomal stability/LogD/solubility studies (8 compounds). When we receive the data we will post the results to the community. In the meantime, if there is another institution willing to assist in DMPK work for free, we are more than willing to help supply solid samples if available.

Owner

mattodd commented Nov 12, 2013

Hello Joie - no data attached to the above. If you can paste in InChis to the box below, or, better, drag and drop an image file into the box, then we can see which molecules you're referring to. If you would like to post an excel or other sheet, then we ought to do this via the ELN, specifically the one that is used to host data referring to biological evaluation of compounds.
http://malaria.ourexperiment.org/biological_data

Owner

alintheopen commented Nov 12, 2013

Hi @mattodd, you just beat me to it.... ;) @JoieG asked me to post the data and it is now here: http://malaria.ourexperiment.org/uri/457

Pawel from UDOPP (Uppsala, Sweden) has offered to run MetID on a couple of compounds for free once they upgrade the MS equipment (soon). This would be a "pre-project" investigation so we can evaluate the service offered by UDOPP. If this is of interest, please contact him directly via email.

Owner

mattodd commented Nov 21, 2013

Sounds very good, Sabin, if there is a willingness to evaluate and provide
the data in the open. Would be great not to use email if at all possible,
however, so everyone is kept in the loop...

On 15 November 2013 07:10, sabinllm notifications@github.com wrote:

Pawel from UDOPP (Uppsala, Sweden) has offered to run MetID on a couple of
compounds for free once they upgrade the MS equipment (soon). This would be
a "pre-project" investigation so we can evaluate the service offered by
UDOPP. If this is of interest, please contact him directly via email.


Reply to this email directly or view it on GitHubhttps://github.com/OpenSourceMalaria/OSM_To_Do_List/issues/107#issuecomment-28518151
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School of Chemistry | Faculty of Science

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delete it and any attachments.

Owner

mattodd commented Dec 18, 2013

Solubility and metabolic stability data received and posted http://malaria.ourexperiment.org/uri/490
Awaiting MetID data.

Owner

mattodd commented Jan 19, 2014

MetID results obtained http://malaria.ourexperiment.org/uri/49a
According to Dec 2013 meeting (http://malaria.ourexperiment.org/osddmalaria_meeting_/8407), further work needed to determine mechanism of metabolism prior to analog design - see #124 so closing this issue.

@mattodd mattodd closed this Jan 19, 2014

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