Comments (3)
Could we possibly ask Corey for a Skype meeting? It might be helpful to chat about this.
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Hi Corey - all the original work you did is here, along with the structures/codes of the relevant compounds:
http://malaria.ourexperiment.org/biological_data/5911
and the data will all be in the SI for the paper. There are two things that are needed for the paper:
- Analysis of the meaning of the results
- A Figure, distilled out of the existing figures, if that is helpful, for the actual paper (rather than the SI).
You looked at 8 bioactive compounds and 5 inactives. You saw effects for 5 compounds of those 13:
9, 39 and 51 are actives
12 and 31 are inactives
(Note that you also looked at OSM-S-56, but this compound is from a different series (Series 2) so can be ignored for now - also active, though, but different structure).
Compounds in both the active and inactive groups give both complex and simple maps. Essentially my problem is that I don't understand what these maps are telling us, the strengths of the things they are telling us (vs typical maps), and whether they are telling us something clearly consistent across the series. So, specific questions:
- Do the simple maps indicate likely false positives, and the complex maps something meaningful, or is it the other way around?
- Is there a consistency in the maps that suggests a target, or is there too much scatter in the suggested targets?
- What's the form of words we ought to use for the paper, i.e. a conclusion+certainty level?
Your input on this would be enormously appreciated.
There was some predictive work done using a bioinformatic approach (in silico) that suggested a possible target was DHODH. We had this experimentally tested by GSK, and it was a negative. Data are summarised here:
http://openwetware.org/wiki/OpenSourceMalaria:GSK_Arylpyrrole_Series#Mechanism_of_Action
in case there is ultimately some overlap.
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Relevant newer experimental data: http://malaria.ourexperiment.org/biological_data/13274 Based on these data am closing this issue. Relevant material has been added to penultimate draft of the manuscript for Series 1, to be submitted imminently.
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