The second strand of the open source drug discovery for malaria project involves aminothienopyrimidines (ATPs). The wiki summary page contains the current To Do list. Child pages to this one refer to specific aspects of the project.
As I alluded to at the end of my previous entry, I've been working on a way to make sulfonamides of the arryl pyrrole series for the OSDD Malaria project.
Figure 1. Examples of sulfonamides that are currently being made for testing as anti-malarials.
A summary of the biological activities obtained for the third set of compounds in 2012 - those arising from the consultation for which synthetic and commercial compounds that were most wanted. See also some links for analysis of trends in the data.
First set (Oct 19th) Data, and these were discussed briefly in an online meeting.
I’ve recently been doing some pharmacophore modelling of some of the OSM and GSK compounds. I was kindly given access to the Schrodinger Suit Software by Dai Hibbs in the Faculty of Pharmacy here at Sydney. Unfortunately, my previous experience with the Schrodinger software is rather limited and I’ve never used the Phase application before. Anyway, I set about getting used to the software again watching all the online tutorials and reading the manuals. After getting used to the software a nice trend in the data was found and I set about tuning this model. Unfortunately this is where I’
