Science Conversations - making good

 
 

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GSK made available a screen of nearly 2  million compounds in GlaxoSmithKline’s chemical library for inhibitors of P. falciparum, of which 13,533 were confirmed to inhibit parasite growth by at least 80% at 2 µM concentration

http://www.nature.com/nature/journal/v465/n7296/abs/nature09107.html


We ran a Citizen Science Event over a week in which participants scored randomly delivered compounds by cross-referencing with information from PubChem. Of 13,500 compounds we had submissions for nearly 1000 compounds



In the same spirit in which the spread sheet was made available to us, we promised to the participants to make the results available here. http://edin.ac/14bIeeZ


The columns of the spreadsheet are:

Name        Compound Code        Number of active assays for the compound        Total number of assays for the compound        Suitability as a drug lead (Score 0-5)         Any comments you would like to make?


The Score is calculated on the following criteria:


Criteria - Pass Rule of 3

               Pass Rule of 5

               Is marked as Medicinal Chemistry Friendly

               IC50  in GSK assay < 1 micoM

               Compound is active in less than 20 % of assays


The whole experience was very interesting and highly enjoyable.  The results were completely reliable as far as we have been able to test. Participants were highly engaged and asked some intelligent and penetrating questions. One known anti-malarial was found as well as several others that scored just as highly.


We thank Francisca Mutapi, Institute of Immunity and Infection Research, School of Biological Sciences, who gave an overview to participants about the economic and social impact of malaria and talked about her experience in the field in Zimbabwe.  We also thank Wesley Kerr, who did all of the coding necessary for the project to work.

 
contacts:

Director:
Prof. Malcolm Walkinshaw
Rm. Swann 3.21
Tel (+44) 0131 6507056
Fax (+44) 0131 6507055
email: malcolm.walkinshaw@ed.ac.uk

Co-Director:
Prof. Paul Barlow
Rm. Swann 3.21
Tel (+44) 0131 6504727
Fax (+44) 0131 6507155
email: Paul.Barlow@ed.ac.uk

Facilities Manager:
Dr. Martin Wear
Rm. Swann 3.20
Tel (+44) 0131 6507054
Fax (+44) 0131 6507055
email: martin.wear@ed.ac.uk

Facilities:

Protein Production
Biophysical Characterisation
In Silico Screening
Fermentation
NMR
Cryo-EM
Training

Links:

On-line Booking
Core Column Library

Access Charges/Costs:

Access Charges/Costsmailto:m.walkinshaw@ed.ac.ukmailto:Paul.Barlow@ed.ac.uk?subject=mailto:m.wear@ed.ac.ukEPPF_-_Protein_Production.htmlEPPF_-_Biophysical_characterisation.htmlIn_Silico_tools.htmlhttp://www.chem.ed.ac.uk/research/services.htmlhttp://www.bionmr.chem.ed.ac.uk/bionmr/index.htmlhttp://cryo-em.bio.ed.ac.ukTraining.htmlhttp://scibsfs.bch.ed.ac.uk/phpScheduleIt/index.phpCore_Column_Library.htmlAccess_charges_costs.htmlEPPF_-_Protein_Production.htmlshapeimage_3_link_0shapeimage_3_link_1shapeimage_3_link_2shapeimage_3_link_3shapeimage_3_link_4shapeimage_3_link_5shapeimage_3_link_6shapeimage_3_link_7shapeimage_3_link_8shapeimage_3_link_9shapeimage_3_link_10shapeimage_3_link_11shapeimage_3_link_12
 

Science Conversations - making good