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Encouraged by the correlation between the structural similarities of the hit compounds and their specific activity against the parasite targets, we performed a similar TDC analysis on the Plasmodium hits P. falciparum : DHFR and drug-resistant DHFR; P. vivax : DHFR and drug-resistant DHFR, NMT and PGK against the library of anti-plasmodial compounds identified by GlaxoSmithKline, Novartis and St Jude Childrens Hospital/chemblntd using screens against cultures of P. falciparum. We found that 54 per cent of the compounds that our screen identified as differentially active against P. falciparum had distance coefficients of 0.5 or lower to at least one of the anti-plasmodial compounds; and 29 per cent of the Plasmodium hits had distance coefficients of 0.4 or lower see figure 5 a and electronic supplementary material, spreadsheet S3. We then arranged our anti-plasmodial hits based on their similarity and plotted these compounds in a similarity heatmap against the Chemblntd compounds that had a TDC of 0.4 or lower to our hits. In this manner, we could identify structural groups with demonstrated in vitro anti-plasmodial activity, as well as suggest the intracellular targets for a few of the Chemblntd compounds see figure 5 b and electronic supplementary material, figure S3. The CVS ExtraCare card is a rewards card that gives you sales prices. On some specially advertised items you can get ExtraCare bucks which are like coupons for about 1 or more off your next purchase. The ExtraCare bucks print out on your receipt.

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Posted by at July 12, 2015
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