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Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

Identifieur interne : 000028 ( Main/Exploration ); précédent : 000027; suivant : 000029

Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

Auteurs : Alice E. Williamson [Australie] ; Paul M. Ylioja [Australie] ; Murray N. Robertson [Australie] ; Yevgeniya Antonova-Koch [États-Unis] ; Vicky Avery [Australie] ; Jonathan B. Baell [Australie] ; Harikrishna Batchu [Inde] ; Sanjay Batra [Inde] ; Jeremy N. Burrows [Suisse] ; Soumya Bhattacharyya [Inde] ; Felix Calderon [Espagne] ; Susan A. Charman [Australie] ; Julie Clark [États-Unis] ; Benigno Crespo [Espagne] ; Matin Dean [Australie] ; Stefan L. Debbert [États-Unis] ; Michael Delves [Royaume-Uni] ; Adelaide S. M. Dennis [Australie] ; Frederik Deroose [Belgique] ; Sandra Duffy [Australie] ; Sabine Fletcher [Australie] ; Guri Giaever [Canada] ; Irene Hallyburton [Royaume-Uni] ; Francisco-Javier Gamo [Espagne] ; Marinella Gebbia [Canada] ; R. Kiplin Guy [États-Unis] ; Zoe Hungerford [Australie] ; Kiaran Kirk [Australie] ; Maria X0a J. Lafuente-Monasterio [Espagne] ; Anna Lee [Canada] ; Stephan Meister [États-Unis] ; Corey Nislow [Canada] ; John P. Overington [Royaume-Uni] ; George Papadatos [Royaume-Uni] ; Luc Patiny [Suisse] ; James Pham [Australie] ; Stuart X0a A. Ralph [Australie] ; Andrea Ruecker [Royaume-Uni] ; Eileen Ryan [Australie] ; Christopher Southan [Royaume-Uni] ; Kumkum Srivastava [Inde] ; Chris Swain [Royaume-Uni] ; Matthew X0a J. Tarnowski [Australie] ; Patrick Thomson [Royaume-Uni] ; Peter Turner [Australie] ; Iain M. Wallace [Royaume-Uni] ; Timothy X0a N. C. Wells [Suisse] ; Karen White [Australie] ; Laura White [Australie] ; Paul Willis [Suisse] ; Elizabeth A. Winzeler [États-Unis] ; Sergio Wittlin [Suisse] ; Matthew H. Todd [Australie]

Source :

RBID : PMC:5084075

Abstract

The development of new antimalarial compounds remains a pivotal part of the strategy for malaria elimination. Recent large-scale phenotypic screens have provided a wealth of potential starting points for hit-to-lead campaigns. One such public set is explored, employing an open source research mechanism in which all data and ideas were shared in real time, anyone was able to participate, and patents were not sought. One chemical subseries was found to exhibit oral activity but contained a labile ester that could not be replaced without loss of activity, and the original hit exhibited remarkable sensitivity to minor structural change. A second subseries displayed high potency, including activity within gametocyte and liver stage assays, but at the cost of low solubility. As an open source research project, unexplored avenues are clearly identified and may be explored further by the community; new findings may be cumulatively added to the present work.


Url:
DOI: 10.1021/acscentsci.6b00086
PubMed: 27800551
PubMed Central: 5084075


Affiliations:

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<nlm:aff id="aff17">Department of Biochemistry & Molecular Biology, Bio21 Molecular Science and Biotechnology Institute,
<institution>The University of Melbourne</institution>
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</nlm:aff>
<country xml:lang="fr">Australie</country>
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<nlm:aff id="aff17">Department of Biochemistry & Molecular Biology, Bio21 Molecular Science and Biotechnology Institute,
<institution>The University of Melbourne</institution>
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<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
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</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ryan, Eileen" sort="Ryan, Eileen" uniqKey="Ryan E" first="Eileen" last="Ryan">Eileen Ryan</name>
<affiliation wicri:level="1">
<nlm:aff id="aff4">Monash Institute of Pharmaceutical Sciences,
<institution>Monash University</institution>
, 381 Royal Parade, Parkville, Victoria 3052,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Southan, Christopher" sort="Southan, Christopher" uniqKey="Southan C" first="Christopher" last="Southan">Christopher Southan</name>
<affiliation wicri:level="1">
<nlm:aff id="aff18">IUPHAR/BPS Guide to PHARMACOLOGY, Centre for Integrative Physiology, School of Biomedical Sciences,
<institution>University of Edinburgh</institution>
, Edinburgh, EH8 9XD,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Srivastava, Kumkum" sort="Srivastava, Kumkum" uniqKey="Srivastava K" first="Kumkum" last="Srivastava">Kumkum Srivastava</name>
<affiliation wicri:level="1">
<nlm:aff id="aff5">
<institution>CSIR-Central Drug Research Institute</institution>
, Sector 10, Jankipuram Extension, Sitapur Road, Lucknow, 226 031,
<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Swain, Chris" sort="Swain, Chris" uniqKey="Swain C" first="Chris" last="Swain">Chris Swain</name>
<affiliation wicri:level="1">
<nlm:aff id="aff19">
<institution>Cambridge MedChem Consulting</institution>
, 8 Mangers Lane, Duxford, Cambridge CB22 4RN,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tarnowski, Matthew X0a J" sort="Tarnowski, Matthew X0a J" uniqKey="Tarnowski M" first="Matthew X0a J." last="Tarnowski">Matthew X0a J. Tarnowski</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Thomson, Patrick" sort="Thomson, Patrick" uniqKey="Thomson P" first="Patrick" last="Thomson">Patrick Thomson</name>
<affiliation wicri:level="1">
<nlm:aff id="aff20">School of Chemistry,
<institution>The University of Edinburgh</institution>
, Joseph Black Building, West Mains Road, Edinburgh EH9 3JJ,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Turner, Peter" sort="Turner, Peter" uniqKey="Turner P" first="Peter" last="Turner">Peter Turner</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wallace, Iain M" sort="Wallace, Iain M" uniqKey="Wallace I" first="Iain M." last="Wallace">Iain M. Wallace</name>
<affiliation wicri:level="1">
<nlm:aff id="aff15">
<institution>European Molecular Biology Laboratory—European Bioinformatics Institute</institution>
, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wells, Timothy X0a N C" sort="Wells, Timothy X0a N C" uniqKey="Wells T" first="Timothy X0a N. C." last="Wells">Timothy X0a N. C. Wells</name>
<affiliation wicri:level="1">
<nlm:aff id="aff6">
<institution>Medicines for Malaria Venture</institution>
, PO Box 1826, 20 rte de Pre-Bois, 1215 Geneva 15,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="White, Karen" sort="White, Karen" uniqKey="White K" first="Karen" last="White">Karen White</name>
<affiliation wicri:level="1">
<nlm:aff id="aff4">Monash Institute of Pharmaceutical Sciences,
<institution>Monash University</institution>
, 381 Royal Parade, Parkville, Victoria 3052,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="White, Laura" sort="White, Laura" uniqKey="White L" first="Laura" last="White">Laura White</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Willis, Paul" sort="Willis, Paul" uniqKey="Willis P" first="Paul" last="Willis">Paul Willis</name>
<affiliation wicri:level="1">
<nlm:aff id="aff6">
<institution>Medicines for Malaria Venture</institution>
, PO Box 1826, 20 rte de Pre-Bois, 1215 Geneva 15,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Winzeler, Elizabeth A" sort="Winzeler, Elizabeth A" uniqKey="Winzeler E" first="Elizabeth A." last="Winzeler">Elizabeth A. Winzeler</name>
<affiliation wicri:level="1">
<nlm:aff id="aff2">Department of Pediatrics, Pharmacology & Drug Development,
<institution>University of California San Diego</institution>
, 9500 Gilman Drive, La Jolla, California 92093,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wittlin, Sergio" sort="Wittlin, Sergio" uniqKey="Wittlin S" first="Sergio" last="Wittlin">Sergio Wittlin</name>
<affiliation wicri:level="1">
<nlm:aff id="aff21">
<institution>Swiss Tropical and Public Health Institute</institution>
, Socinstrasse 57, 4051 Basel,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Todd, Matthew H" sort="Todd, Matthew H" uniqKey="Todd M" first="Matthew H." last="Todd">Matthew H. Todd</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</titleStmt>
<publicationStmt>
<idno type="wicri:source">PMC</idno>
<idno type="pmid">27800551</idno>
<idno type="pmc">5084075</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5084075</idno>
<idno type="RBID">PMC:5084075</idno>
<idno type="doi">10.1021/acscentsci.6b00086</idno>
<date when="2016">2016</date>
<idno type="wicri:Area/Pmc/Corpus">000116</idno>
<idno type="wicri:Area/Pmc/Curation">000116</idno>
<idno type="wicri:Area/Pmc/Checkpoint">000023</idno>
<idno type="wicri:Area/Ncbi/Merge">000496</idno>
<idno type="wicri:Area/Ncbi/Curation">000496</idno>
<idno type="wicri:Area/Ncbi/Checkpoint">000496</idno>
<idno type="wicri:doubleKey">2374-7943:2016:Williamson A:open:source:drug</idno>
<idno type="wicri:Area/Main/Merge">000028</idno>
<idno type="wicri:Area/Main/Curation">000028</idno>
<idno type="wicri:Area/Main/Exploration">000028</idno>
</publicationStmt>
<sourceDesc>
<biblStruct>
<analytic>
<title xml:lang="en" level="a" type="main">Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles</title>
<author>
<name sortKey="Williamson, Alice E" sort="Williamson, Alice E" uniqKey="Williamson A" first="Alice E." last="Williamson">Alice E. Williamson</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ylioja, Paul M" sort="Ylioja, Paul M" uniqKey="Ylioja P" first="Paul M." last="Ylioja">Paul M. Ylioja</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Robertson, Murray N" sort="Robertson, Murray N" uniqKey="Robertson M" first="Murray N." last="Robertson">Murray N. Robertson</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Antonova Koch, Yevgeniya" sort="Antonova Koch, Yevgeniya" uniqKey="Antonova Koch Y" first="Yevgeniya" last="Antonova-Koch">Yevgeniya Antonova-Koch</name>
<affiliation wicri:level="1">
<nlm:aff id="aff2">Department of Pediatrics, Pharmacology & Drug Development,
<institution>University of California San Diego</institution>
, 9500 Gilman Drive, La Jolla, California 92093,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Avery, Vicky" sort="Avery, Vicky" uniqKey="Avery V" first="Vicky" last="Avery">Vicky Avery</name>
<affiliation wicri:level="1">
<nlm:aff id="aff3">Discovery Biology, Eskitis Institute for Drug Discovery,
<institution>Griffith University</institution>
, Nathan, Queensland 4111,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Baell, Jonathan B" sort="Baell, Jonathan B" uniqKey="Baell J" first="Jonathan B." last="Baell">Jonathan B. Baell</name>
<affiliation wicri:level="1">
<nlm:aff id="aff4">Monash Institute of Pharmaceutical Sciences,
<institution>Monash University</institution>
, 381 Royal Parade, Parkville, Victoria 3052,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Batchu, Harikrishna" sort="Batchu, Harikrishna" uniqKey="Batchu H" first="Harikrishna" last="Batchu">Harikrishna Batchu</name>
<affiliation wicri:level="1">
<nlm:aff id="aff5">
<institution>CSIR-Central Drug Research Institute</institution>
, Sector 10, Jankipuram Extension, Sitapur Road, Lucknow, 226 031,
<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Batra, Sanjay" sort="Batra, Sanjay" uniqKey="Batra S" first="Sanjay" last="Batra">Sanjay Batra</name>
<affiliation wicri:level="1">
<nlm:aff id="aff5">
<institution>CSIR-Central Drug Research Institute</institution>
, Sector 10, Jankipuram Extension, Sitapur Road, Lucknow, 226 031,
<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Burrows, Jeremy N" sort="Burrows, Jeremy N" uniqKey="Burrows J" first="Jeremy N." last="Burrows">Jeremy N. Burrows</name>
<affiliation wicri:level="1">
<nlm:aff id="aff6">
<institution>Medicines for Malaria Venture</institution>
, PO Box 1826, 20 rte de Pre-Bois, 1215 Geneva 15,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Bhattacharyya, Soumya" sort="Bhattacharyya, Soumya" uniqKey="Bhattacharyya S" first="Soumya" last="Bhattacharyya">Soumya Bhattacharyya</name>
<affiliation wicri:level="1">
<nlm:aff id="aff5">
<institution>CSIR-Central Drug Research Institute</institution>
, Sector 10, Jankipuram Extension, Sitapur Road, Lucknow, 226 031,
<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Calderon, Felix" sort="Calderon, Felix" uniqKey="Calderon F" first="Felix" last="Calderon">Felix Calderon</name>
<affiliation wicri:level="1">
<nlm:aff id="aff7">Tres Cantos Medicines Development Campus, Diseases of the Developing World,
<institution>GlaxoSmithKline</institution>
, Severo Ochoa 2, 28760 Tres Cantos,
<country>Spain</country>
</nlm:aff>
<country xml:lang="fr">Espagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Charman, Susan A" sort="Charman, Susan A" uniqKey="Charman S" first="Susan A." last="Charman">Susan A. Charman</name>
<affiliation wicri:level="1">
<nlm:aff id="aff4">Monash Institute of Pharmaceutical Sciences,
<institution>Monash University</institution>
, 381 Royal Parade, Parkville, Victoria 3052,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Clark, Julie" sort="Clark, Julie" uniqKey="Clark J" first="Julie" last="Clark">Julie Clark</name>
<affiliation wicri:level="1">
<nlm:aff id="aff8">Department of Chemical Biology & Therapeutics,
<institution>St. Jude Children’s Research Hospital</institution>
, MS 1000, Room E9050, 262 Danny Thomas Place, Memphis, Tennessee 38105-3678,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Crespo, Benigno" sort="Crespo, Benigno" uniqKey="Crespo B" first="Benigno" last="Crespo">Benigno Crespo</name>
<affiliation wicri:level="1">
<nlm:aff id="aff7">Tres Cantos Medicines Development Campus, Diseases of the Developing World,
<institution>GlaxoSmithKline</institution>
, Severo Ochoa 2, 28760 Tres Cantos,
<country>Spain</country>
</nlm:aff>
<country xml:lang="fr">Espagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Dean, Matin" sort="Dean, Matin" uniqKey="Dean M" first="Matin" last="Dean">Matin Dean</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Debbert, Stefan L" sort="Debbert, Stefan L" uniqKey="Debbert S" first="Stefan L." last="Debbert">Stefan L. Debbert</name>
<affiliation wicri:level="1">
<nlm:aff id="aff9">Department of Chemistry,
<institution>Lawrence University</institution>
, 233 Steitz Science Hall, 711 East Boldt Way, Appleton, Wisconsin 54911,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Delves, Michael" sort="Delves, Michael" uniqKey="Delves M" first="Michael" last="Delves">Michael Delves</name>
<affiliation wicri:level="1">
<nlm:aff id="aff10">Department of Life Sciences,
<institution>Imperial College London</institution>
, South Kensington, London SW7 2AZ,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Dennis, Adelaide S M" sort="Dennis, Adelaide S M" uniqKey="Dennis A" first="Adelaide S. M." last="Dennis">Adelaide S. M. Dennis</name>
<affiliation wicri:level="1">
<nlm:aff id="aff11">Research School of Biology,
<institution>The Australian National University</institution>
, Canberra, ACT 2601,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Deroose, Frederik" sort="Deroose, Frederik" uniqKey="Deroose F" first="Frederik" last="Deroose">Frederik Deroose</name>
<affiliation wicri:level="1">
<nlm:aff id="aff12">
<institution>Asclepia Outsourcing Solutions</institution>
, Damvalleistraat 49, B-9070 Destelbergen,
<country>Belgium</country>
</nlm:aff>
<country xml:lang="fr">Belgique</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Duffy, Sandra" sort="Duffy, Sandra" uniqKey="Duffy S" first="Sandra" last="Duffy">Sandra Duffy</name>
<affiliation wicri:level="1">
<nlm:aff id="aff3">Discovery Biology, Eskitis Institute for Drug Discovery,
<institution>Griffith University</institution>
, Nathan, Queensland 4111,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Fletcher, Sabine" sort="Fletcher, Sabine" uniqKey="Fletcher S" first="Sabine" last="Fletcher">Sabine Fletcher</name>
<affiliation wicri:level="1">
<nlm:aff id="aff3">Discovery Biology, Eskitis Institute for Drug Discovery,
<institution>Griffith University</institution>
, Nathan, Queensland 4111,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Giaever, Guri" sort="Giaever, Guri" uniqKey="Giaever G" first="Guri" last="Giaever">Guri Giaever</name>
<affiliation wicri:level="1">
<nlm:aff id="aff13">Donnelly Centre for Cellular and Biomolecular Research,
<institution>University of Toronto</institution>
, 160 College Street, Toronto, Ontario M5S 3E1,
<country>Canada</country>
</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Hallyburton, Irene" sort="Hallyburton, Irene" uniqKey="Hallyburton I" first="Irene" last="Hallyburton">Irene Hallyburton</name>
<affiliation wicri:level="1">
<nlm:aff id="aff14">Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery,
<institution>University of Dundee</institution>
, Dundee, DD1 5EH,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gamo, Francisco Javier" sort="Gamo, Francisco Javier" uniqKey="Gamo F" first="Francisco-Javier" last="Gamo">Francisco-Javier Gamo</name>
<affiliation wicri:level="1">
<nlm:aff id="aff7">Tres Cantos Medicines Development Campus, Diseases of the Developing World,
<institution>GlaxoSmithKline</institution>
, Severo Ochoa 2, 28760 Tres Cantos,
<country>Spain</country>
</nlm:aff>
<country xml:lang="fr">Espagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Gebbia, Marinella" sort="Gebbia, Marinella" uniqKey="Gebbia M" first="Marinella" last="Gebbia">Marinella Gebbia</name>
<affiliation wicri:level="1">
<nlm:aff id="aff13">Donnelly Centre for Cellular and Biomolecular Research,
<institution>University of Toronto</institution>
, 160 College Street, Toronto, Ontario M5S 3E1,
<country>Canada</country>
</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Guy, R Kiplin" sort="Guy, R Kiplin" uniqKey="Guy R" first="R. Kiplin" last="Guy">R. Kiplin Guy</name>
<affiliation wicri:level="1">
<nlm:aff id="aff8">Department of Chemical Biology & Therapeutics,
<institution>St. Jude Children’s Research Hospital</institution>
, MS 1000, Room E9050, 262 Danny Thomas Place, Memphis, Tennessee 38105-3678,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Hungerford, Zoe" sort="Hungerford, Zoe" uniqKey="Hungerford Z" first="Zoe" last="Hungerford">Zoe Hungerford</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Kirk, Kiaran" sort="Kirk, Kiaran" uniqKey="Kirk K" first="Kiaran" last="Kirk">Kiaran Kirk</name>
<affiliation wicri:level="1">
<nlm:aff id="aff11">Research School of Biology,
<institution>The Australian National University</institution>
, Canberra, ACT 2601,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
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<affiliation wicri:level="1">
<nlm:aff id="aff7">Tres Cantos Medicines Development Campus, Diseases of the Developing World,
<institution>GlaxoSmithKline</institution>
, Severo Ochoa 2, 28760 Tres Cantos,
<country>Spain</country>
</nlm:aff>
<country xml:lang="fr">Espagne</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Lee, Anna" sort="Lee, Anna" uniqKey="Lee A" first="Anna" last="Lee">Anna Lee</name>
<affiliation wicri:level="1">
<nlm:aff id="aff13">Donnelly Centre for Cellular and Biomolecular Research,
<institution>University of Toronto</institution>
, 160 College Street, Toronto, Ontario M5S 3E1,
<country>Canada</country>
</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Meister, Stephan" sort="Meister, Stephan" uniqKey="Meister S" first="Stephan" last="Meister">Stephan Meister</name>
<affiliation wicri:level="1">
<nlm:aff id="aff2">Department of Pediatrics, Pharmacology & Drug Development,
<institution>University of California San Diego</institution>
, 9500 Gilman Drive, La Jolla, California 92093,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Nislow, Corey" sort="Nislow, Corey" uniqKey="Nislow C" first="Corey" last="Nislow">Corey Nislow</name>
<affiliation wicri:level="1">
<nlm:aff id="aff13">Donnelly Centre for Cellular and Biomolecular Research,
<institution>University of Toronto</institution>
, 160 College Street, Toronto, Ontario M5S 3E1,
<country>Canada</country>
</nlm:aff>
<country xml:lang="fr">Canada</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Overington, John P" sort="Overington, John P" uniqKey="Overington J" first="John P." last="Overington">John P. Overington</name>
<affiliation wicri:level="1">
<nlm:aff id="aff15">
<institution>European Molecular Biology Laboratory—European Bioinformatics Institute</institution>
, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Papadatos, George" sort="Papadatos, George" uniqKey="Papadatos G" first="George" last="Papadatos">George Papadatos</name>
<affiliation wicri:level="1">
<nlm:aff id="aff15">
<institution>European Molecular Biology Laboratory—European Bioinformatics Institute</institution>
, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Patiny, Luc" sort="Patiny, Luc" uniqKey="Patiny L" first="Luc" last="Patiny">Luc Patiny</name>
<affiliation wicri:level="1">
<nlm:aff id="aff16">Institute of Chemical Sciences and Engineering (ISIC),
<institution>Ecole Polytechnique Fédérale de Lausanne (EPFL)</institution>
, Lausanne 1015,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Pham, James" sort="Pham, James" uniqKey="Pham J" first="James" last="Pham">James Pham</name>
<affiliation wicri:level="1">
<nlm:aff id="aff17">Department of Biochemistry & Molecular Biology, Bio21 Molecular Science and Biotechnology Institute,
<institution>The University of Melbourne</institution>
, Melbourne, Victoria 3010,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ralph, Stuart X0a A" sort="Ralph, Stuart X0a A" uniqKey="Ralph S" first="Stuart X0a A." last="Ralph">Stuart X0a A. Ralph</name>
<affiliation wicri:level="1">
<nlm:aff id="aff17">Department of Biochemistry & Molecular Biology, Bio21 Molecular Science and Biotechnology Institute,
<institution>The University of Melbourne</institution>
, Melbourne, Victoria 3010,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ruecker, Andrea" sort="Ruecker, Andrea" uniqKey="Ruecker A" first="Andrea" last="Ruecker">Andrea Ruecker</name>
<affiliation wicri:level="1">
<nlm:aff id="aff10">Department of Life Sciences,
<institution>Imperial College London</institution>
, South Kensington, London SW7 2AZ,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Ryan, Eileen" sort="Ryan, Eileen" uniqKey="Ryan E" first="Eileen" last="Ryan">Eileen Ryan</name>
<affiliation wicri:level="1">
<nlm:aff id="aff4">Monash Institute of Pharmaceutical Sciences,
<institution>Monash University</institution>
, 381 Royal Parade, Parkville, Victoria 3052,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Southan, Christopher" sort="Southan, Christopher" uniqKey="Southan C" first="Christopher" last="Southan">Christopher Southan</name>
<affiliation wicri:level="1">
<nlm:aff id="aff18">IUPHAR/BPS Guide to PHARMACOLOGY, Centre for Integrative Physiology, School of Biomedical Sciences,
<institution>University of Edinburgh</institution>
, Edinburgh, EH8 9XD,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Srivastava, Kumkum" sort="Srivastava, Kumkum" uniqKey="Srivastava K" first="Kumkum" last="Srivastava">Kumkum Srivastava</name>
<affiliation wicri:level="1">
<nlm:aff id="aff5">
<institution>CSIR-Central Drug Research Institute</institution>
, Sector 10, Jankipuram Extension, Sitapur Road, Lucknow, 226 031,
<country>India</country>
</nlm:aff>
<country xml:lang="fr">Inde</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Swain, Chris" sort="Swain, Chris" uniqKey="Swain C" first="Chris" last="Swain">Chris Swain</name>
<affiliation wicri:level="1">
<nlm:aff id="aff19">
<institution>Cambridge MedChem Consulting</institution>
, 8 Mangers Lane, Duxford, Cambridge CB22 4RN,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Tarnowski, Matthew X0a J" sort="Tarnowski, Matthew X0a J" uniqKey="Tarnowski M" first="Matthew X0a J." last="Tarnowski">Matthew X0a J. Tarnowski</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Thomson, Patrick" sort="Thomson, Patrick" uniqKey="Thomson P" first="Patrick" last="Thomson">Patrick Thomson</name>
<affiliation wicri:level="1">
<nlm:aff id="aff20">School of Chemistry,
<institution>The University of Edinburgh</institution>
, Joseph Black Building, West Mains Road, Edinburgh EH9 3JJ,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Turner, Peter" sort="Turner, Peter" uniqKey="Turner P" first="Peter" last="Turner">Peter Turner</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wallace, Iain M" sort="Wallace, Iain M" uniqKey="Wallace I" first="Iain M." last="Wallace">Iain M. Wallace</name>
<affiliation wicri:level="1">
<nlm:aff id="aff15">
<institution>European Molecular Biology Laboratory—European Bioinformatics Institute</institution>
, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD,
<country>U.K.</country>
</nlm:aff>
<country xml:lang="fr">Royaume-Uni</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wells, Timothy X0a N C" sort="Wells, Timothy X0a N C" uniqKey="Wells T" first="Timothy X0a N. C." last="Wells">Timothy X0a N. C. Wells</name>
<affiliation wicri:level="1">
<nlm:aff id="aff6">
<institution>Medicines for Malaria Venture</institution>
, PO Box 1826, 20 rte de Pre-Bois, 1215 Geneva 15,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="White, Karen" sort="White, Karen" uniqKey="White K" first="Karen" last="White">Karen White</name>
<affiliation wicri:level="1">
<nlm:aff id="aff4">Monash Institute of Pharmaceutical Sciences,
<institution>Monash University</institution>
, 381 Royal Parade, Parkville, Victoria 3052,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="White, Laura" sort="White, Laura" uniqKey="White L" first="Laura" last="White">Laura White</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Willis, Paul" sort="Willis, Paul" uniqKey="Willis P" first="Paul" last="Willis">Paul Willis</name>
<affiliation wicri:level="1">
<nlm:aff id="aff6">
<institution>Medicines for Malaria Venture</institution>
, PO Box 1826, 20 rte de Pre-Bois, 1215 Geneva 15,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Winzeler, Elizabeth A" sort="Winzeler, Elizabeth A" uniqKey="Winzeler E" first="Elizabeth A." last="Winzeler">Elizabeth A. Winzeler</name>
<affiliation wicri:level="1">
<nlm:aff id="aff2">Department of Pediatrics, Pharmacology & Drug Development,
<institution>University of California San Diego</institution>
, 9500 Gilman Drive, La Jolla, California 92093,
<country>United States</country>
</nlm:aff>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Wittlin, Sergio" sort="Wittlin, Sergio" uniqKey="Wittlin S" first="Sergio" last="Wittlin">Sergio Wittlin</name>
<affiliation wicri:level="1">
<nlm:aff id="aff21">
<institution>Swiss Tropical and Public Health Institute</institution>
, Socinstrasse 57, 4051 Basel,
<country>Switzerland</country>
</nlm:aff>
<country xml:lang="fr">Suisse</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author>
<name sortKey="Todd, Matthew H" sort="Todd, Matthew H" uniqKey="Todd M" first="Matthew H." last="Todd">Matthew H. Todd</name>
<affiliation wicri:level="1">
<nlm:aff id="aff1">School of Chemistry,
<institution>The University of Sydney</institution>
, Sydney, New South Wales 2006,
<country>Australia</country>
</nlm:aff>
<country xml:lang="fr">Australie</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series>
<title level="j">ACS Central Science</title>
<idno type="ISSN">2374-7943</idno>
<idno type="eISSN">2374-7951</idno>
<imprint>
<date when="2016">2016</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc>
<textClass></textClass>
</profileDesc>
</teiHeader>
<front>
<div type="abstract" xml:lang="en">
<p content-type="toc-graphic">
<graphic xlink:href="oc-2016-000863_0009" id="ab-d31e657"></graphic>
</p>
<p>The development of new antimalarial compounds remains a pivotal part of the strategy for malaria elimination. Recent large-scale phenotypic screens have provided a wealth of potential starting points for hit-to-lead campaigns. One such public set is explored, employing an open source research mechanism in which all data and ideas were shared in real time, anyone was able to participate, and patents were not sought. One chemical subseries was found to exhibit oral activity but contained a labile ester that could not be replaced without loss of activity, and the original hit exhibited remarkable sensitivity to minor structural change. A second subseries displayed high potency, including activity within gametocyte and liver stage assays, but at the cost of low solubility. As an open source research project, unexplored avenues are clearly identified and may be explored further by the community; new findings may be cumulatively added to the present work.</p>
</div>
</front>
<back>
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