hERG assay - appeal for collaborator #192

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mattodd opened this Issue May 2, 2014 · 2 comments

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@mattodd
OpenSourceMalaria member

A hERG assay was run on two compounds:

march 2014 herg compounds

Data: http://malaria.ourexperiment.org/biological_data/9562

which were both positive (numbers were pIC50 = 5.6 and 5.2 while ideally we'd want compounds to be at about 4.5). This represents a warning flag, rather than a show-stopper - hERG is typically more of a problem with bases. Reducing this activity should be an aim of future analog design in OSM's Series 4 (http://openwetware.org/wiki/OpenSourceMalaria:Triazolopyrazine_%28TP%29_Series).

Future use of this assay: The assay employed in this case was a low-throughput patch-clamp assay. It would be useful to run a higher-throughput competitive binding assay for future analogs in OSM Series 4.

Appeal - Is there a lab willing to run a high throughput hERG competitive binding assay on future Series 4 compounds? Comments can be below, or via email to opensourcemalaria@gmail.com, or via any other means of contacting members of the consortium listed on the landing page: http://opensourcemalaria.org/

@mattodd mattodd self-assigned this May 2, 2014
@mattodd
OpenSourceMalaria member

More data should be coming #211
But still need collaborator lab long-term here.

@mattodd
OpenSourceMalaria member

AstraZeneca ran the latest hERG assay
http://malaria.ourexperiment.org/biological_data/11081
The data obtained point to an ongoing need for screening of future compounds in this assay, as well as the need for a predictive model.

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