Update 08 Feb 2016:  A team, expanded from those who produced the paper below ended up with a an old alert from  PMC that have an impressive consolidation paper as Validation of N-myristoyltransferase as an antimalarial drug target using an integrated chemical biology approach (PMID 24451586).  This included very useful Nature Chemistry links vis

Update July 2016.  A new publication has just appeared "Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond" in PLOS Pathogens. This is a tour de force of functional characterisation so I hope the mappings below will become even more useful.  I have refreshed the  open link View my collection, "Malaria Box Jul 2013" from NCBI

The fascinations of being a German wine aficionado not only include being able to make sense of it in classical biochemical terms  but also the new intersections between  genomics and chemical databases.

I am pleased to report that our (erstwhile SmithKline Beecham) 1999 publication on the APP beta secretase identification as BACE1 (PMID 10656250),  reached 1000 Google Scholar citations on the 2nd of June 2013. You can see the time course plot below. There is quite a backstory to this  but I can just pick out some salient points.

Update 8th May:  See this connecting post from SE's blog As an unexpected variation on the theme, NCATS, having previously brokered industry compounds to academia for repurposing  (see PMID 23159359), are now putting their home-grown drug research candidates out to tender (NCATS/research/tools/preclinical/patents/tech-licensing).

Update 17th April Efforts made to initiate Wikepedia entries have been somewhat zealously flagged for a variety of percieved edting misdemenours or even blocked. As can be seem by the tweets we will try to resolve this cordially.  I'm all for collaborative expert open editing but not with a stopwatch ticking.

Given the flurry of interest in the now-you-see-it-now-you-don't HeLa cell genome it seems a good time to post something that seems like a footnote but, believe it or not, was on my to-blog list  as an interesting protein annotation and database versioning issue long before this fuss started after the sequencing paper.

Update, 27 Mar,  all four slide sets now up for preview. ********************************************** I am pleased to see our workshop taking shape as a web page with the abstracts and draft slide sets already on slideshare.

It was gratifying to see the previous Drug-class-of-2011-in-pubchem post garnered 412 hits.  For this annual update I have made a few changes to make it a bit quicker to compile the post.  As ever, the pundits have made their pronouncements, varying between glass half-empty and half-full interpretations of two big years in a row.  For a detailed technical breakdown the informative ChEMBL 2012 drug listings are recommended.

Update Friday Ist March.  Inspired by this new post I have added a PDB search below. In addition, 95 of the Sydney compounds, with linked activity data, are now instanciated in the new ChEMBL Malaria MMV_2 database release. ************************************************************* As an introduction  to this post I am pleased to show the latest top-ranked  hit of my name in Google image search.

Update,  13 March,  most pleased to see this today and thanks for the acesses ************************************************************* This starts where I tried out some InChiKey (IK)  searching  for the bosinhib blog post in June of last year. Soon after I was pleased to have a proposal accepted  for the InChI special issue. I am also a supporting member of the InChI Trust (which you can also join).