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Update OSM1 Paper Section + Wiki on Commercial Compounds Bought and Evaluated #78

Closed mattodd closed 8 years ago

mattodd commented 11 years ago

Relevant commercial compounds are OSM-S-81-91

mattodd commented 10 years ago

Wiki updated for commercial arylpyrrole compounds, plus some general comments.

Text for paper:

When considering which analogs of hits are desirable for potency evaluation it is important to identify those compounds that may be sourced commercially ("SAR by Catalogue"). Freely available search engines may be used and compounds may be sourced inexpensively in small quantities - indeed such sources may well be the original sources of many of the compounds used in the screening campaigns of large pharmaceutical companies. A search in mid-2012 for available molecules related to the arylpyrrole hit TCMDC-123812 gave several compounds that appeared worthy of further investigation from which a shortlist of ten was finalized by an open consultation. (Commercial analogs of the near neighbor thiazolidinones were identified but not ultimately acquired due to ongoing issues arising from the solubility of this series.) After an unsuccessful appeal for donations, ten of these compounds were purchased and evaluated (codes OSM-S-81 through -91 were assigned). None had been previously evaluated by GSK for antimalarial activity in the original screen. The potency data for these commercially-sourced compounds are analyzed below along with the data for the synthesized compounds.

Ongoing consultation: http://www.thesynapticleap.org/node/412 Final list: http://www.thesynapticleap.org/node/416 Recording: http://www.youtube.com/watch?v=ooM8kuo14Bg No gifts: http://www.thesynapticleap.org/node/414 Confirmation that the 10 are new to GSK malaria: http://www.thesynapticleap.org/comment/863#comment-863 Biological evaluation: http://www.thesynapticleap.org/node/430 Raw data: http://malaria.ourexperiment.org/biological_data/5521

mattodd commented 10 years ago

To Do: check any local files/emails for more, and provide a sense of how the search was done. I'm right in thinking, @incoherentboy and @murrayfold , that we searched for commercial analogs of the near neighbours but that we had by that stage de-prioritised that set, so did not order? We included 13 in the Excel sheet we sent to Felix and GSK to verify whether they were known, but we did not then order.

murrayfold commented 10 years ago

Are these the compounds that were ordered at the same time as the ones for Jimmy's part of the project? If so, I don't think I was involved in any of the searching and selection process. Any searching I would have done would have been after these compounds were selected, ordered and tested. I can have a look for other files I have but everything of any use would have been posted on G+ or in a lab book entry.

mattodd commented 8 years ago

Closing since this text is in the Series 1 paper, about to be submitted.