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Bio <-> Chem

Technical notes from the interface between bioinformatics and cheminformatics by Chris Southan
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GPCR. LigandsBiologieEnglisch
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Autor Christopher Southan

Its not every day an orphan GPCR becomes de-orphanized.  Its even rarer that the ligand looks like a "new" cytokine and even rarer still that two independent papers cross-corroborate essentially the same findings in the same week.  Yet more exceptionality in this case is that the pairing becomes immediately relevant to our GtoImmuPdb effort.

AntimalarialsBiologieEnglisch
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Autor Christopher Southan

Its good to see a new comprehensive review that includes a global antimalarial pipeline update, this time as a Nature Disease Primer " Malaria " (PMID 28770814).  Notwithstanding, we see the same problem as with other papers from the same stable (as described in this post resolving  16 images from the 2015 NRDD review Malaria medicines: a glass half full?

PubChemBiologieEnglisch
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Autor Christopher Southan

I have just expanded my very own modest collection of SIDs  from five to - wait for it - ten entries ("TW2Informatics"[SourceName] in SIDs or CIDs). So why bother?  I'll just pick the salient reasons here: 1) It gives me feelgood factor/cred/Karma/kudos  to know I'm actually one of the merry throng of 527 data sources.

BloggingBiologieEnglisch
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Autor Christopher Southan

Update 20th July 2017 The pic below indicates a return to more "normal" stats, so far so good... *************************************************** This marks the end of 6-month blogging lapse (although I have updated a couple of older posts e.g. molecular details of BIA 10-2474).  This gap was due to a number of factors;

CurationBiologieEnglisch
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Autor Christopher Southan

This is the first of a series of posts that will describe the challenges associated with the curation of specific GtoPdb entries. They will thus provide detailed examples of what we actually do, rather than the more general descriptions of biocuration activities published by most database teams, which are useful but variable in their level of operational detail.

AntinfectivesBiologieEnglisch
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Autor Christopher Southan

Good news indeed,  quoted from Proteasome inhibition for treatment of leishmaniasis, Chagas disease and sleeping sickness as a Nature letter viz  "a selective inhibitor of the kinetoplastid proteasome (GNF6702) with unprecedented in vivo efficacy, which cleared parasites from mice in all three models of infection.

AntimalarialsBiologieEnglisch
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Autor Christopher Southan

A paper just popped in on Twitter entitled " A broad analysis of resistance development in the malaria parasite " (PMID 27301419) with the impressive figure below. This will generate much interest but I zeroed in on how accessible the chemistry was. The bad news is that while Nature Communications usually provides direct PubChem links, they must have balked at the prospect of adding 53 of them.

PubChemBiologieEnglisch
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Autor Christopher Southan

Context to this concatenated blog series is given below at the beginning of the set. This most recent one completes the top-13 sources. I'm now inclined to look at some of the smaller but more bioactivity-rich sources as detailed single posts in the future.