Integrated Dataset of Screening Hits against Multiple Neglected Disease Pathogens
Publication Date
December 20, 2011
Journal
PLOS Neglected Tropical Diseases
Authors
Solomon Nwaka, Dominique Besson, Bernadette Ramirez, Louis Maes, et al
Volume
5
Issue
12
Pages
e1412
DOI
https://dx.plos.org/10.1371/journal.pntd.0001412
Publisher URL
http://journals.plos.org/plosntds/article?id=10.1371%2Fjournal.pntd.0001412
PubMed
http://www.ncbi.nlm.nih.gov/pubmed/22247786
PubMed Central
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3243694
Europe PMC
http://europepmc.org/abstract/MED/22247786
Web of Science
000298667700018
Scopus
84855315945
Mendeley
http://www.mendeley.com/research/integrated-dataset-screening-hits-against-multiple-neglected-disease-pathogens
Events
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Mendeley | Further Information

{"title"=>"Integrated dataset of screening hits against multiple neglected disease pathogens", "type"=>"journal", "authors"=>[{"first_name"=>"Solomon", "last_name"=>"Nwaka", "scopus_author_id"=>"55932311200"}, {"first_name"=>"Dominique", "last_name"=>"Besson", "scopus_author_id"=>"8931952400"}, {"first_name"=>"Bernadette", "last_name"=>"Ramirez", "scopus_author_id"=>"7005502267"}, {"first_name"=>"Louis", "last_name"=>"Maes", "scopus_author_id"=>"7005829766"}, {"first_name"=>"An", "last_name"=>"Matheeussen", "scopus_author_id"=>"35272580000"}, {"first_name"=>"Quentin", "last_name"=>"Bickle", "scopus_author_id"=>"7003745671"}, {"first_name"=>"Nuha R.", "last_name"=>"Mansour", "scopus_author_id"=>"23987087100"}, {"first_name"=>"Fouad", "last_name"=>"Yousif", "scopus_author_id"=>"7003479214"}, {"first_name"=>"Simon", "last_name"=>"Townson", "scopus_author_id"=>"35564893600"}, {"first_name"=>"Suzanne", "last_name"=>"Gokool", "scopus_author_id"=>"57195280217"}, {"first_name"=>"Fidelis", "last_name"=>"Cho-Ngwa", "scopus_author_id"=>"22933623000"}, {"first_name"=>"Moses", "last_name"=>"Samje", "scopus_author_id"=>"37117748100"}, {"first_name"=>"Shailja", "last_name"=>"Misra-Bhattacharya", "scopus_author_id"=>"6602249698"}, {"first_name"=>"P. K.", "last_name"=>"Murthy", "scopus_author_id"=>"7201373937"}, {"first_name"=>"Foluke", "last_name"=>"Fakorede", "scopus_author_id"=>"22937270300"}, {"first_name"=>"Jean Marc", "last_name"=>"Paris", "scopus_author_id"=>"7401885470"}, {"first_name"=>"Clive", "last_name"=>"Yeates", "scopus_author_id"=>"23069571700"}, {"first_name"=>"Robert", "last_name"=>"Ridley", "scopus_author_id"=>"7101604632"}, {"first_name"=>"Wesley C.", "last_name"=>"van Voorhis", "scopus_author_id"=>"7005691996"}, {"first_name"=>"Timothy", "last_name"=>"Geary", "scopus_author_id"=>"7005138420"}], "year"=>2011, "source"=>"PLoS Neglected Tropical Diseases", "identifiers"=>{"pui"=>"364025841", "sgr"=>"84855315945", "issn"=>"19352727", "pmid"=>"22247786", "scopus"=>"2-s2.0-84855315945", "doi"=>"10.1371/journal.pntd.0001412", "isbn"=>"1935-2727"}, "id"=>"8cedb304-44e8-3a93-b5b5-f2d8e0e115ab", "abstract"=>"New chemical entities are desperately needed that overcome the limitations of existing drugs for neglected diseases. Screening a diverse library of 10,000 drug-like compounds against 7 neglected disease pathogens resulted in an integrated dataset of 744 hits. We discuss the prioritization of these hits for each pathogen and the strong correlation observed between compounds active against more than two pathogens and mammalian cell toxicity. Our work suggests that the efficiency of early drug discovery for neglected diseases can be enhanced through a collaborative, multi-pathogen approach.", "link"=>"http://www.mendeley.com/research/integrated-dataset-screening-hits-against-multiple-neglected-disease-pathogens", "reader_count"=>56, "reader_count_by_academic_status"=>{"Unspecified"=>3, "Professor > Associate Professor"=>2, "Librarian"=>2, "Student > Doctoral Student"=>4, "Researcher"=>14, "Student > Ph. D. Student"=>8, "Student > Postgraduate"=>1, "Student > Master"=>6, "Other"=>7, "Student > Bachelor"=>3, "Lecturer"=>1, "Professor"=>5}, "reader_count_by_user_role"=>{"Unspecified"=>3, "Professor > Associate Professor"=>2, "Librarian"=>2, "Student > Doctoral Student"=>4, "Researcher"=>14, "Student > Ph. D. Student"=>8, "Student > Postgraduate"=>1, "Student > Master"=>6, "Other"=>7, "Student > Bachelor"=>3, "Lecturer"=>1, "Professor"=>5}, "reader_count_by_subject_area"=>{"Unspecified"=>5, "Biochemistry, Genetics and Molecular Biology"=>1, "Agricultural and Biological Sciences"=>24, "Medicine and Dentistry"=>6, "Arts and Humanities"=>1, "Pharmacology, Toxicology and Pharmaceutical Science"=>2, "Physics and Astronomy"=>1, "Chemistry"=>13, "Psychology"=>1, "Social Sciences"=>1, "Immunology and Microbiology"=>1}, "reader_count_by_subdiscipline"=>{"Medicine and Dentistry"=>{"Medicine and Dentistry"=>6}, "Chemistry"=>{"Chemistry"=>13}, "Social Sciences"=>{"Social Sciences"=>1}, "Physics and Astronomy"=>{"Physics and Astronomy"=>1}, "Psychology"=>{"Psychology"=>1}, "Immunology and Microbiology"=>{"Immunology and Microbiology"=>1}, "Agricultural and Biological Sciences"=>{"Agricultural and Biological Sciences"=>24}, "Biochemistry, Genetics and Molecular Biology"=>{"Biochemistry, Genetics and Molecular Biology"=>1}, "Unspecified"=>{"Unspecified"=>5}, "Pharmacology, Toxicology and Pharmaceutical Science"=>{"Pharmacology, Toxicology and Pharmaceutical Science"=>2}, "Arts and Humanities"=>{"Arts and Humanities"=>1}}, "reader_count_by_country"=>{"Canada"=>1, "United States"=>1, "Brazil"=>2, "United Kingdom"=>1}, "group_count"=>3}

Scopus | Further Information

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Figshare

  • {"files"=>["https://ndownloader.figshare.com/files/700681"], "description"=>"<p>The formatting and distribution of the library to various screening centers on dry ice was handled by 2 screening partners - Laboratory for Microbiology, Parasitology and Hygiene at the University of Antwerp (LMPH) and the London School of hygiene and Tropical Medicine (LSHTM). Two shipments were lost (indicated by dark grey boxes) due to logistics problems. Considering the high variability of screening throughput (<i>P. falciparum</i> = 100,000 compounds/month, <i>T. cruzi</i>, <i>T. brucei & L. infantum</i> = 10,000 compounds/month, while <i>S. mansoni (adult worms), B. malayi (adult worms and microfilaria) and O. lienalis/O. ochengi (microfilaria)</i> = 1,000 compounds/month), shipments were handled in 3 batches from increasing size. For batch 2 and 3 and for diseases having 2 different screening sites (Schistosomiasis with London School of Hygiene and Tropical Medicine (LSHTM) and Theodor Bilharz Institute (TBRI) in Cairo or Onchocerciasis with Northwick Park Institute for Medical Research (NPIMR) using <i>O. lienalis</i> and the University of Buea (UB) using <i>O. ochengi</i>) it was decided to have molecules individually tested on one single site.</p>", "links"=>[], "tags"=>["logistics"], "article_id"=>371035, "categories"=>["Biochemistry", "Chemistry"], "users"=>["Solomon Nwaka", "Dominique Besson", "Bernadette Ramirez", "Louis Maes", "An Matheeussen", "Quentin Bickle", "Nuha R. Mansour", "Fouad Yousif", "Simon Townson", "Suzanne Gokool", "Fidelis Cho-Ngwa", "Moses Samje", "Shailja Misra-Bhattacharya", "P. K. Murthy", "Foluke Fakorede", "Jean-Marc Paris", "Clive Yeates", "Robert Ridley", "Wesley C. Van Voorhis", "Timothy Geary"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0001412.g002", "stats"=>{"downloads"=>1, "page_views"=>14, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Screening_logistics_and_framework_/371035", "title"=>"Screening logistics and framework.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2011-12-20 00:17:15"}
  • {"files"=>["https://ndownloader.figshare.com/files/700924"], "description"=>"<p>Graph show IC<sub>50</sub> values of all non cytotoxic compounds (IC<sub>50</sub>>5 ug/ml on MRC5 cells) on Chagas (X axes) and on HAT (Y axes). Interesting series are grouped into 3 sub groups as follows: 1) the compounds that are active against only <i>T. cruzi</i> are represented by large light blue squares around the Y axes, 2) the compounds active against only <i>T. brucei</i> are represented by small dark blue squares around the X axes, and 3) compounds active against both pathogens identified as large dark blue close to the cross axes. The compounds in group 3 are potential candidates for joint development for the 2 diseases.</p>", "links"=>[], "tags"=>["chagas", "hits", "non"], "article_id"=>371276, "categories"=>["Biochemistry", "Chemistry"], "users"=>["Solomon Nwaka", "Dominique Besson", "Bernadette Ramirez", "Louis Maes", "An Matheeussen", "Quentin Bickle", "Nuha R. Mansour", "Fouad Yousif", "Simon Townson", "Suzanne Gokool", "Fidelis Cho-Ngwa", "Moses Samje", "Shailja Misra-Bhattacharya", "P. K. Murthy", "Foluke Fakorede", "Jean-Marc Paris", "Clive Yeates", "Robert Ridley", "Wesley C. Van Voorhis", "Timothy Geary"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0001412.g004", "stats"=>{"downloads"=>1, "page_views"=>7, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Comparison_of_Chagas_T_cruzi_and_HAT_T_brucei_hits_that_are_non_cytotoxic_/371276", "title"=>"Comparison of Chagas (<i>T. cruzi</i>) and HAT (<i>T. brucei</i>) hits that are non cytotoxic.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2011-12-20 00:21:16"}
  • {"files"=>["https://ndownloader.figshare.com/files/700563"], "description"=>"<p><u>A:</u> Histograms representing calculated PSA, molecular weight (MW), aLogP and LogD for the selected Life Chemicals screening set. Overall, the library respects the criteria for the rule of five (maximum acceptable of each criteria represented by the vertical red line) except the PSA which has a slightly high calculated index. <u>B:</u> This grap is summarizing the Principal Component Analysis (PCA) of screened library versus PCA of DrugBank library. The DrugBank database is a resource that contains detailed data for about 6800 drugs. Calculated PCA show that the Life Chemical library (represented by the red ellipsis) sits within the 95% PCA confidence index of the DrugBank library (represented by the blue ellipsis). The PCA calculation was based on the descriptors to account for size, flexibility and polarity of molecules (molecular weight [size], number of rotatable bonds [flexibility], hydrogen bond acceptors [molecular polarity], hydrogen bond donors [molecular polarity], topological polar surface area [molecular polarity] and ALogP [molecular polarity].</p>", "links"=>[], "tags"=>["calculated", "properties"], "article_id"=>370920, "categories"=>["Biochemistry", "Chemistry"], "users"=>["Solomon Nwaka", "Dominique Besson", "Bernadette Ramirez", "Louis Maes", "An Matheeussen", "Quentin Bickle", "Nuha R. Mansour", "Fouad Yousif", "Simon Townson", "Suzanne Gokool", "Fidelis Cho-Ngwa", "Moses Samje", "Shailja Misra-Bhattacharya", "P. K. Murthy", "Foluke Fakorede", "Jean-Marc Paris", "Clive Yeates", "Robert Ridley", "Wesley C. Van Voorhis", "Timothy Geary"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0001412.g001", "stats"=>{"downloads"=>4, "page_views"=>9, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_LifeChemicals_library_calculated_properties_analysis_/370920", "title"=>"LifeChemicals library calculated properties analysis.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2011-12-20 00:15:20"}
  • {"files"=>["https://ndownloader.figshare.com/files/701029"], "description"=>"<p><i>In vitro</i> antiprotozoal <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Fidock1\" target=\"_blank\">[9]</a>, <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Nwaka3\" target=\"_blank\">[16]</a>, <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Cos1\" target=\"_blank\">[32]</a>–<a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Maes1\" target=\"_blank\">[36]</a> and anthelminthic screens <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Nwaka3\" target=\"_blank\">[16]</a>, <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Townson1\" target=\"_blank\">[30]</a>, <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Ramirez1\" target=\"_blank\">[31]</a>, <a href=\"http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001412#pntd.0001412-Mansour1\" target=\"_blank\">[37]</a> screening protocols details.</p>", "links"=>[], "tags"=>["antiprotozoal", "anthelminthic", "screens", "protocols"], "article_id"=>371380, "categories"=>["Biochemistry", "Chemistry"], "users"=>["Solomon Nwaka", "Dominique Besson", "Bernadette Ramirez", "Louis Maes", "An Matheeussen", "Quentin Bickle", "Nuha R. Mansour", "Fouad Yousif", "Simon Townson", "Suzanne Gokool", "Fidelis Cho-Ngwa", "Moses Samje", "Shailja Misra-Bhattacharya", "P. K. Murthy", "Foluke Fakorede", "Jean-Marc Paris", "Clive Yeates", "Robert Ridley", "Wesley C. Van Voorhis", "Timothy Geary"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0001412.t001", "stats"=>{"downloads"=>5, "page_views"=>6, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_In_vitro_antiprotozoal_9_16_32_36_and_anthelminthic_screens_16_30_31_37_screening_protocols_details_/371380", "title"=>"<i>In vitro</i> antiprotozoal [9], [16], [32]–[36] and anthelminthic screens [16], [30], [31], [37] screening protocols details.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2011-12-20 00:23:00"}
  • {"files"=>["https://ndownloader.figshare.com/files/355812"], "description"=>"<div><p>New chemical entities are desperately needed that overcome the limitations of existing drugs for neglected diseases. Screening a diverse library of 10,000 drug-like compounds against 7 neglected disease pathogens resulted in an integrated dataset of 744 hits. We discuss the prioritization of these hits for each pathogen and the strong correlation observed between compounds active against more than two pathogens and mammalian cell toxicity. Our work suggests that the efficiency of early drug discovery for neglected diseases can be enhanced through a collaborative, multi-pathogen approach.</p> </div>", "links"=>[], "tags"=>["dataset", "hits", "neglected", "pathogens"], "article_id"=>130292, "categories"=>["Biochemistry", "Chemistry"], "users"=>["Solomon Nwaka", "Dominique Besson", "Bernadette Ramirez", "Louis Maes", "An Matheeussen", "Quentin Bickle", "Nuha R. Mansour", "Fouad Yousif", "Simon Townson", "Suzanne Gokool", "Fidelis Cho-Ngwa", "Moses Samje", "Shailja Misra-Bhattacharya", "P. K. Murthy", "Foluke Fakorede", "Jean-Marc Paris", "Clive Yeates", "Robert Ridley", "Wesley C. Van Voorhis", "Timothy Geary"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0001412", "stats"=>{"downloads"=>6, "page_views"=>13, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/Integrated_Dataset_of_Screening_Hits_against_Multiple_Neglected_Disease_Pathogens/130292", "title"=>"Integrated Dataset of Screening Hits against Multiple Neglected Disease Pathogens", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2011-12-20 00:04:52"}
  • {"files"=>["https://ndownloader.figshare.com/files/700798"], "description"=>"<p>The 744 hits identified on the various pathogens are sorted by compound identifier (ID). Each colored line represents an active molecule and each column represents an assay for a pathogen or cytotoxicity (C = cytotoxicity, M = malaria, H = HAT, CD = Chagas disease, L = Leishmaniasis, S = Schistosomiasis, LF = Lymphatic Filariasis (microfilaria) and O = Onchocerciasis (microfilaria). Except for cytotoxicity, where active molecules are highlighted in red (activity<1 µg/ml), orange (1 µg/mlResults) are highlighted in green and molecules having some borderline activity (Malaria and HAT: 0.5 µg/ml75% motility reduction at 12.5 µM) are highlighted in yellow. Grey box represent missing results. Further details on color coding are available below.</p>", "links"=>[], "tags"=>["744", "hits", "pathogens"], "article_id"=>371151, "categories"=>["Biochemistry", "Chemistry"], "users"=>["Solomon Nwaka", "Dominique Besson", "Bernadette Ramirez", "Louis Maes", "An Matheeussen", "Quentin Bickle", "Nuha R. Mansour", "Fouad Yousif", "Simon Townson", "Suzanne Gokool", "Fidelis Cho-Ngwa", "Moses Samje", "Shailja Misra-Bhattacharya", "P. K. Murthy", "Foluke Fakorede", "Jean-Marc Paris", "Clive Yeates", "Robert Ridley", "Wesley C. Van Voorhis", "Timothy Geary"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0001412.g003", "stats"=>{"downloads"=>1, "page_views"=>6, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Comparison_of_the_744_hits_from_different_pathogens_and_cytotoxicity_/371151", "title"=>"Comparison of the 744 hits from different pathogens and cytotoxicity.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2011-12-20 00:19:11"}

PMC Usage Stats | Further Information

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Relative Metric

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