FightMalaria@Home: Exciting news from the FM@H project - first in vitro validation co

Dear all,We've had our first major success from the FightMalaria@Home project. After analyzing the data generated in the first phase (docking all the 400 MalariaBox compounds against all models), we have ranked lists of potential inhibitors for each receptor. But are these real? This is the kind of question that keeps us up at night. Now we can rest easy - we've tested the top 20 hits using a model of the Plasmodial form of HDAC (histone deacetylase) in a laboratory (Dr Marian Brennan, RCSI, Dublin), and found THREE new inhibitors! So that's just one of the 1,500 receptors that we're docking, using only the best docking results (i.e. only the 20 best ligands). It's a fantastic result, giving us hope that there are other gems waiting to be found in the data that you've generated on your home PCs!Well done everyone!!!!!ciao,Antps: We're in the process of writing up a manuscript for publication in an open-access journal, so you'll be able to read about all the details, and download all the data generated from FM@H, once we've survived the peer review process.

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