UsefulChem Project

Published by jcbradley on 21 December 2005 - 5:55pm

It is really nice to see more people attacking these important problems with open source strategies!

We also have a parallel effort UsefulChem and the project getting the most attention right now is on malaria as well.  We have a few hundred targets to synthesize based on a library provided by Find-A-Drug.  We are debating the best synthetic approach right now so if there are any chemists out there that have some contributions please post them on the blog.  We'll start the syntheses in a few weeks probably and will test them with in vitro assays. 

For the big picture view see http://usefulchem.wikispaces.com

For the main blog see http://usefulchem.blogspot.com

For our molecules of interest see http://usefulchem-molecules.blogspot.com

 

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Q&A and Feedback
MatTodd's picture

Jean-Claude - looks interesting. When things calm down after Christmas, I will post something about what we're hoping to do here for schisto. It's a slightly different project at the moment.

It's a shame that Find-a-Drug is closing. I had a look at the site, and I guess the first thing that caught my eye was the huge number of potential hits. Perhaps this was a problem, rather than a benefit? If we propose (from an in silico screen) a range of analogues, can we reasonably expect an open source community to make them?

I guess priority 1 is to try to find someone who already has these compounds, 2 is to find someone with a particular expertise at making them, 3 is to identify (new) general and efficient synthetic routes, and 4 is to actually make them from scratch. Your diketopiperazine project is an interesting and important pilot. Good luck!

 

 

jcbradley's picture

Mat - we also first try to find if someone might have these compounds available but so far we have not so we are going to make them.  What would help the most is making people aware of the our projects and contributing their special skills or knowledge.  For example, I just found a one pot solution synthesis of the diketopiperazines after spending several weeks on a difficult solid-support strategy.  Someone with more experience in the peptide synthesis world might have saved up a lot of time with a link to a single reference.