Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2016-04

AUTHORS

Lucas N. Alberca, María L. Sbaraglini, Darío Balcazar, Laura Fraccaroli, Carolina Carrillo, Andrea Medeiros, Diego Benitez, Marcelo Comini, Alan Talevi

ABSTRACT

Chagas disease is a parasitic infection caused by the protozoa Trypanosoma cruzi that affects about 6 million people in Latin America. Despite its sanitary importance, there are currently only two drugs available for treatment: benznidazole and nifurtimox, both exhibiting serious adverse effects and limited efficacy in the chronic stage of the disease. Polyamines are ubiquitous to all living organisms where they participate in multiple basic functions such as biosynthesis of nucleic acids and proteins, proliferation and cell differentiation. T. cruzi is auxotroph for polyamines, which are taken up from the extracellular medium by efficient transporters and, to a large extent, incorporated into trypanothione (bis-glutathionylspermidine), the major redox cosubstrate of trypanosomatids. From a 268-compound database containing polyamine analogs with and without inhibitory effect on T. cruzi we have inferred classificatory models that were later applied in a virtual screening campaign to identify anti-trypanosomal compounds among drugs already used for other therapeutic indications (i.e. computer-guided drug repositioning) compiled in the DrugBank and Sweetlead databases. Five of the candidates identified with this strategy were evaluated in cellular models from different pathogenic trypanosomatids (T. cruzi wt, T. cruzi PAT12, T. brucei and Leishmania infantum), and in vitro models of aminoacid/polyamine transport assays and trypanothione synthetase inhibition assay. Triclabendazole, sertaconazole and paroxetine displayed inhibitory effects on the proliferation of T. cruzi (epimastigotes) and the uptake of putrescine by the parasite. They also interfered with the uptake of others aminoacids and the proliferation of infective T. brucei and L. infantum (promastigotes). Trypanothione synthetase was ruled out as molecular target for the anti-parasitic activity of these compounds. More... »

PAGES

305-321

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10822-016-9903-6

DOI

http://dx.doi.org/10.1007/s10822-016-9903-6

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1028876884

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/26891837


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/1115", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Pharmacology and Pharmaceutical Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/11", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Medical and Health Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Amide Synthases", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Antiprotozoal Agents", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Chagas Disease", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Computer Simulation", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Drug Repositioning", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Glutathione", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Humans", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Imidazoles", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Nitroimidazoles", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Polyamines", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Spermidine", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Thiophenes", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Trypanosoma cruzi", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "User-Computer Interface", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "National University of La Plata", 
          "id": "https://www.grid.ac/institutes/grid.9499.d", 
          "name": [
            "Laboratory of Bioactive Compounds Research and Development (LIDeB), Medicinal Chemistry, Department of Biological Science, Exact Sciences College, National University of La Plata (UNLP), Argentina, 47 & 115, B1900AJI, La Plata, Buenos Aires, Argentina"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Alberca", 
        "givenName": "Lucas N.", 
        "id": "sg:person.01331570321.41", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01331570321.41"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "National University of La Plata", 
          "id": "https://www.grid.ac/institutes/grid.9499.d", 
          "name": [
            "Laboratory of Bioactive Compounds Research and Development (LIDeB), Medicinal Chemistry, Department of Biological Science, Exact Sciences College, National University of La Plata (UNLP), Argentina, 47 & 115, B1900AJI, La Plata, Buenos Aires, Argentina"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Sbaraglini", 
        "givenName": "Mar\u00eda L.", 
        "id": "sg:person.0742534064.18", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0742534064.18"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "National Scientific and Technical Research Council", 
          "id": "https://www.grid.ac/institutes/grid.423606.5", 
          "name": [
            "Instituto de Ciencias y Tecnolog\u00eda Dr. C\u00e9sar Milstein (ICT Milstein), Argentinean National Council of Scientific and Technical Research (CONICET), Buenos Aires, Argentina"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Balcazar", 
        "givenName": "Dar\u00edo", 
        "id": "sg:person.01263455121.79", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01263455121.79"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "National Scientific and Technical Research Council", 
          "id": "https://www.grid.ac/institutes/grid.423606.5", 
          "name": [
            "Instituto de Ciencias y Tecnolog\u00eda Dr. C\u00e9sar Milstein (ICT Milstein), Argentinean National Council of Scientific and Technical Research (CONICET), Buenos Aires, Argentina"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Fraccaroli", 
        "givenName": "Laura", 
        "id": "sg:person.0623153273.38", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0623153273.38"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "National Scientific and Technical Research Council", 
          "id": "https://www.grid.ac/institutes/grid.423606.5", 
          "name": [
            "Instituto de Ciencias y Tecnolog\u00eda Dr. C\u00e9sar Milstein (ICT Milstein), Argentinean National Council of Scientific and Technical Research (CONICET), Buenos Aires, Argentina"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Carrillo", 
        "givenName": "Carolina", 
        "id": "sg:person.0622770046.35", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0622770046.35"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institut Pasteur de Montevideo", 
          "id": "https://www.grid.ac/institutes/grid.418532.9", 
          "name": [
            "Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, 11400, Montevideo, Uruguay"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Medeiros", 
        "givenName": "Andrea", 
        "id": "sg:person.01262567411.70", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01262567411.70"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institut Pasteur de Montevideo", 
          "id": "https://www.grid.ac/institutes/grid.418532.9", 
          "name": [
            "Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, 11400, Montevideo, Uruguay"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Benitez", 
        "givenName": "Diego", 
        "id": "sg:person.01233457346.06", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01233457346.06"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Institut Pasteur de Montevideo", 
          "id": "https://www.grid.ac/institutes/grid.418532.9", 
          "name": [
            "Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, 11400, Montevideo, Uruguay"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Comini", 
        "givenName": "Marcelo", 
        "id": "sg:person.01327233733.70", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01327233733.70"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "National University of La Plata", 
          "id": "https://www.grid.ac/institutes/grid.9499.d", 
          "name": [
            "Laboratory of Bioactive Compounds Research and Development (LIDeB), Medicinal Chemistry, Department of Biological Science, Exact Sciences College, National University of La Plata (UNLP), Argentina, 47 & 115, B1900AJI, La Plata, Buenos Aires, Argentina"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Talevi", 
        "givenName": "Alan", 
        "id": "sg:person.01321346443.94", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01321346443.94"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "https://doi.org/10.1016/j.exppara.2010.10.010", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002886587"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1128/aac.00229-11", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002944476"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1590/s0074-02762010000300009", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1004160758"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.freeradbiomed.2014.05.007", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1005128122"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.pt.2005.08.026", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1006171122"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ejmech.2013.11.011", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1007954825"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.bmc.2007.11.077", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1008093374"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1038/nrd1468", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1010423625", 
          "https://doi.org/10.1038/nrd1468"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1038/nrd1468", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1010423625", 
          "https://doi.org/10.1038/nrd1468"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1590/s0074-02762009000900006", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1010565055"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1093/nar/gkq1126", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1010727021"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.drudis.2012.08.005", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1010946618"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jinorgbio.2013.02.010", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1011468500"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm300687e", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1013688655"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1590/s0074-02762002000100001", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1016018114"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1111/j.1365-2958.2010.07081.x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017026533"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1111/j.1365-2958.2010.07081.x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017026533"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.bbrc.2006.03.215", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017764364"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1089/adt.2015.29011.tiodrrr", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1019149582"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1186/1758-2946-6-s1-p17", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1019323119", 
          "https://doi.org/10.1186/1758-2946-6-s1-p17"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1371/journal.pone.0079568", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1022789015"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1042/bj20110362", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023367147"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1042/bj20110362", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023367147"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1093/jac/dkp290", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023570403"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0014-5793(99)00804-2", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1026750237"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0960-894x(03)00319-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1026989933"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0960-894x(03)00319-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1026989933"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0166-6851(96)02815-0", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1030054692"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.exppara.2009.06.004", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1031231373"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1128/aac.00038-08", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1031416417"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1056/nejmoa1507574", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1032716573"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1111/j.1550-7408.2003.tb00141.x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1033099647"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1111/j.1550-7408.2003.tb00141.x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1033099647"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ejmech.2014.06.020", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1033169465"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ejmech.2004.07.001", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1036778786"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.bcp.2007.03.020", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1038553984"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1042/bj20071185", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1038642420"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1042/bj20071185", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1038642420"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1586/17512433.2014.909282", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1038781862"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00436-005-0010-1", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1038798440", 
          "https://doi.org/10.1007/s00436-005-0010-1"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00436-005-0010-1", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1038798440", 
          "https://doi.org/10.1007/s00436-005-0010-1"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.freeradbiomed.2004.02.008", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1039064341"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ejmech.2015.01.065", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1042506482"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.2147/dddt.s46289", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1042849179"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.drudis.2011.02.016", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1043009018"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.actatropica.2014.02.012", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1044457469"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ejmech.2006.11.006", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1044530302"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.bmcl.2012.11.072", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1045010304"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1128/aac.37.10.2235", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1045963908"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1371/journal.pone.0019541", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1048063378"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.patcog.2014.03.021", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1048405639"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1590/s0074-02762010000300001", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1050009936"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jacc.2013.05.046", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1050157045"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0022-1759(83)90303-4", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1053705634"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0022-1759(83)90303-4", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1053705634"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci010291a", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055401250"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci010291a", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055401250"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci049714+", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055401846"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci049714+", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055401846"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci050011h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055401991"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci050011h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055401991"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci100297y", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055402482"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci100297y", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055402482"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci400284v", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055403233"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci8000887", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055404487"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ci8000887", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055404487"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm010854+", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055946833"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm010854+", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055946833"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm049092j", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055948882"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm049092j", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055948882"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm050468i", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055949633"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm050468i", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055949633"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm1008456", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055951818"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm1008456", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055951818"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm201548z", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055952764"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm301112z", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055953295"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm400508e", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055953809"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1126/scitranslmed.aaa0154", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1062688586"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1128/aac.06404-11", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1062709762"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.2174/1568026616666160216154309", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1069195463"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.2174/157340912801619076", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1069211115"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.2307/2531595", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1069977037"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://app.dimensions.ai/details/publication/pub.1077804622", 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://app.dimensions.ai/details/publication/pub.1079042474", 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2016-04", 
    "datePublishedReg": "2016-04-01", 
    "description": "Chagas disease is a parasitic infection caused by the protozoa Trypanosoma cruzi that affects about 6 million people in Latin America. Despite its sanitary importance, there are currently only two drugs available for treatment: benznidazole and nifurtimox, both exhibiting serious adverse effects and limited efficacy in the chronic stage of the disease. Polyamines are ubiquitous to all living organisms where they participate in multiple basic functions such as biosynthesis of nucleic acids and proteins, proliferation and cell differentiation. T. cruzi is auxotroph for polyamines, which are taken up from the extracellular medium by efficient transporters and, to a large extent, incorporated into trypanothione (bis-glutathionylspermidine), the major redox cosubstrate of trypanosomatids. From a 268-compound database containing polyamine analogs with and without inhibitory effect on T. cruzi we have inferred classificatory models that were later applied in a virtual screening campaign to identify anti-trypanosomal compounds among drugs already used for other therapeutic indications (i.e. computer-guided drug repositioning) compiled in the DrugBank and Sweetlead databases. Five of the candidates identified with this strategy were evaluated in cellular models from different pathogenic trypanosomatids (T. cruzi wt, T. cruzi PAT12, T. brucei and Leishmania infantum), and in vitro models of aminoacid/polyamine transport assays and trypanothione synthetase inhibition assay. Triclabendazole, sertaconazole and paroxetine displayed inhibitory effects on the proliferation of T. cruzi (epimastigotes) and the uptake of putrescine by the parasite. They also interfered with the uptake of others aminoacids and the proliferation of infective T. brucei and L. infantum (promastigotes). Trypanothione synthetase was ruled out as molecular target for the anti-parasitic activity of these compounds.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1007/s10822-016-9903-6", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1105375", 
        "issn": [
          "0928-2866", 
          "1573-9023"
        ], 
        "name": "Journal of Computer-Aided Molecular Design", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "4", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "30"
      }
    ], 
    "name": "Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning", 
    "pagination": "305-321", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "899027a1d518604b62e8580da46fbb562dd6877ddd5d4d1d8d358cb736e344a5"
        ]
      }, 
      {
        "name": "pubmed_id", 
        "type": "PropertyValue", 
        "value": [
          "26891837"
        ]
      }, 
      {
        "name": "nlm_unique_id", 
        "type": "PropertyValue", 
        "value": [
          "8710425"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/s10822-016-9903-6"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1028876884"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/s10822-016-9903-6", 
      "https://app.dimensions.ai/details/publication/pub.1028876884"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-10T22:26", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000001_0000000264/records_8690_00000489.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "http://link.springer.com/10.1007/s10822-016-9903-6"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1007/s10822-016-9903-6'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/s10822-016-9903-6'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s10822-016-9903-6'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s10822-016-9903-6'


 

This table displays all metadata directly associated to this object as RDF triples.

389 TRIPLES      21 PREDICATES      110 URIs      35 LITERALS      23 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/s10822-016-9903-6 schema:about N1539c3a317a34ff389023b5d9e0e846a
2 N31f006dc02c4420f93b6821a98e8ee0b
3 N3e8b0fdb199446768b01f85b74fdaf70
4 N40145686388940d0ab879d673afea851
5 N57579e2438724f83b0b1044a666d04a4
6 N66c4fe52a1c040f9b8e7369ac85eee42
7 N6c2ba80f72e34c6aa7dbe0d1bbbcbe02
8 N7b20121ac197452bb9c29073d9786cac
9 N7b518bf313e2432abc6c62a1b65088ae
10 N81765c104b7442628e278db56c4ba22b
11 N8dce6c7d64a0456cbbff1b140da38e12
12 Nd77ce817b9404a70a9cd5fe2aad30402
13 Nf625d9f427d6436ba61bf15cfbc1ab2e
14 Nf7d3feecfeeb4671b07acd70ad2e4567
15 anzsrc-for:11
16 anzsrc-for:1115
17 schema:author Nda2911af5fe5418fb92025492fc804fd
18 schema:citation sg:pub.10.1007/s00436-005-0010-1
19 sg:pub.10.1038/nrd1468
20 sg:pub.10.1186/1758-2946-6-s1-p17
21 https://app.dimensions.ai/details/publication/pub.1077804622
22 https://app.dimensions.ai/details/publication/pub.1079042474
23 https://doi.org/10.1016/0022-1759(83)90303-4
24 https://doi.org/10.1016/j.actatropica.2014.02.012
25 https://doi.org/10.1016/j.bbrc.2006.03.215
26 https://doi.org/10.1016/j.bcp.2007.03.020
27 https://doi.org/10.1016/j.bmc.2007.11.077
28 https://doi.org/10.1016/j.bmcl.2012.11.072
29 https://doi.org/10.1016/j.drudis.2011.02.016
30 https://doi.org/10.1016/j.drudis.2012.08.005
31 https://doi.org/10.1016/j.ejmech.2004.07.001
32 https://doi.org/10.1016/j.ejmech.2006.11.006
33 https://doi.org/10.1016/j.ejmech.2013.11.011
34 https://doi.org/10.1016/j.ejmech.2014.06.020
35 https://doi.org/10.1016/j.ejmech.2015.01.065
36 https://doi.org/10.1016/j.exppara.2009.06.004
37 https://doi.org/10.1016/j.exppara.2010.10.010
38 https://doi.org/10.1016/j.freeradbiomed.2004.02.008
39 https://doi.org/10.1016/j.freeradbiomed.2014.05.007
40 https://doi.org/10.1016/j.jacc.2013.05.046
41 https://doi.org/10.1016/j.jinorgbio.2013.02.010
42 https://doi.org/10.1016/j.patcog.2014.03.021
43 https://doi.org/10.1016/j.pt.2005.08.026
44 https://doi.org/10.1016/s0014-5793(99)00804-2
45 https://doi.org/10.1016/s0166-6851(96)02815-0
46 https://doi.org/10.1016/s0960-894x(03)00319-6
47 https://doi.org/10.1021/ci010291a
48 https://doi.org/10.1021/ci049714+
49 https://doi.org/10.1021/ci050011h
50 https://doi.org/10.1021/ci100297y
51 https://doi.org/10.1021/ci400284v
52 https://doi.org/10.1021/ci8000887
53 https://doi.org/10.1021/jm010854+
54 https://doi.org/10.1021/jm049092j
55 https://doi.org/10.1021/jm050468i
56 https://doi.org/10.1021/jm1008456
57 https://doi.org/10.1021/jm201548z
58 https://doi.org/10.1021/jm300687e
59 https://doi.org/10.1021/jm301112z
60 https://doi.org/10.1021/jm400508e
61 https://doi.org/10.1042/bj20071185
62 https://doi.org/10.1042/bj20110362
63 https://doi.org/10.1056/nejmoa1507574
64 https://doi.org/10.1089/adt.2015.29011.tiodrrr
65 https://doi.org/10.1093/jac/dkp290
66 https://doi.org/10.1093/nar/gkq1126
67 https://doi.org/10.1111/j.1365-2958.2010.07081.x
68 https://doi.org/10.1111/j.1550-7408.2003.tb00141.x
69 https://doi.org/10.1126/scitranslmed.aaa0154
70 https://doi.org/10.1128/aac.00038-08
71 https://doi.org/10.1128/aac.00229-11
72 https://doi.org/10.1128/aac.06404-11
73 https://doi.org/10.1128/aac.37.10.2235
74 https://doi.org/10.1371/journal.pone.0019541
75 https://doi.org/10.1371/journal.pone.0079568
76 https://doi.org/10.1586/17512433.2014.909282
77 https://doi.org/10.1590/s0074-02762002000100001
78 https://doi.org/10.1590/s0074-02762009000900006
79 https://doi.org/10.1590/s0074-02762010000300001
80 https://doi.org/10.1590/s0074-02762010000300009
81 https://doi.org/10.2147/dddt.s46289
82 https://doi.org/10.2174/1568026616666160216154309
83 https://doi.org/10.2174/157340912801619076
84 https://doi.org/10.2307/2531595
85 schema:datePublished 2016-04
86 schema:datePublishedReg 2016-04-01
87 schema:description Chagas disease is a parasitic infection caused by the protozoa Trypanosoma cruzi that affects about 6 million people in Latin America. Despite its sanitary importance, there are currently only two drugs available for treatment: benznidazole and nifurtimox, both exhibiting serious adverse effects and limited efficacy in the chronic stage of the disease. Polyamines are ubiquitous to all living organisms where they participate in multiple basic functions such as biosynthesis of nucleic acids and proteins, proliferation and cell differentiation. T. cruzi is auxotroph for polyamines, which are taken up from the extracellular medium by efficient transporters and, to a large extent, incorporated into trypanothione (bis-glutathionylspermidine), the major redox cosubstrate of trypanosomatids. From a 268-compound database containing polyamine analogs with and without inhibitory effect on T. cruzi we have inferred classificatory models that were later applied in a virtual screening campaign to identify anti-trypanosomal compounds among drugs already used for other therapeutic indications (i.e. computer-guided drug repositioning) compiled in the DrugBank and Sweetlead databases. Five of the candidates identified with this strategy were evaluated in cellular models from different pathogenic trypanosomatids (T. cruzi wt, T. cruzi PAT12, T. brucei and Leishmania infantum), and in vitro models of aminoacid/polyamine transport assays and trypanothione synthetase inhibition assay. Triclabendazole, sertaconazole and paroxetine displayed inhibitory effects on the proliferation of T. cruzi (epimastigotes) and the uptake of putrescine by the parasite. They also interfered with the uptake of others aminoacids and the proliferation of infective T. brucei and L. infantum (promastigotes). Trypanothione synthetase was ruled out as molecular target for the anti-parasitic activity of these compounds.
88 schema:genre research_article
89 schema:inLanguage en
90 schema:isAccessibleForFree false
91 schema:isPartOf N43ff474296d241409c7865c9691ef882
92 N5e5219c5d3cf41fca5bbf69f2926c663
93 sg:journal.1105375
94 schema:name Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning
95 schema:pagination 305-321
96 schema:productId N085689fa41cc4757b76f4a01aa6b8035
97 Nb3bf37b9a97c4d2a884f64cf74c9e503
98 Nc9f645ee4c0541e1b7403bba1dfece40
99 Ncd07385ee41245bca2caf1635ec18b15
100 Nec54c736faeb40a095dd4b8518b2b21b
101 schema:sameAs https://app.dimensions.ai/details/publication/pub.1028876884
102 https://doi.org/10.1007/s10822-016-9903-6
103 schema:sdDatePublished 2019-04-10T22:26
104 schema:sdLicense https://scigraph.springernature.com/explorer/license/
105 schema:sdPublisher N1927936476f341f3870e2c6d7902ddf4
106 schema:url http://link.springer.com/10.1007/s10822-016-9903-6
107 sgo:license sg:explorer/license/
108 sgo:sdDataset articles
109 rdf:type schema:ScholarlyArticle
110 N085689fa41cc4757b76f4a01aa6b8035 schema:name pubmed_id
111 schema:value 26891837
112 rdf:type schema:PropertyValue
113 N1539c3a317a34ff389023b5d9e0e846a schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
114 schema:name Thiophenes
115 rdf:type schema:DefinedTerm
116 N1927936476f341f3870e2c6d7902ddf4 schema:name Springer Nature - SN SciGraph project
117 rdf:type schema:Organization
118 N1e8499d6532443158e54f0769a92f6fa rdf:first sg:person.01321346443.94
119 rdf:rest rdf:nil
120 N31f006dc02c4420f93b6821a98e8ee0b schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
121 schema:name Humans
122 rdf:type schema:DefinedTerm
123 N3e8b0fdb199446768b01f85b74fdaf70 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
124 schema:name Polyamines
125 rdf:type schema:DefinedTerm
126 N40145686388940d0ab879d673afea851 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
127 schema:name Computer Simulation
128 rdf:type schema:DefinedTerm
129 N43ff474296d241409c7865c9691ef882 schema:issueNumber 4
130 rdf:type schema:PublicationIssue
131 N57579e2438724f83b0b1044a666d04a4 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
132 schema:name Nitroimidazoles
133 rdf:type schema:DefinedTerm
134 N586f1f79b355489381c97e376956abc2 rdf:first sg:person.01233457346.06
135 rdf:rest N69685df14ea14dd182a3eba11a0b44c5
136 N5d6ab1d86562439098796dae258afb90 rdf:first sg:person.01262567411.70
137 rdf:rest N586f1f79b355489381c97e376956abc2
138 N5e5219c5d3cf41fca5bbf69f2926c663 schema:volumeNumber 30
139 rdf:type schema:PublicationVolume
140 N66c4fe52a1c040f9b8e7369ac85eee42 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
141 schema:name User-Computer Interface
142 rdf:type schema:DefinedTerm
143 N69685df14ea14dd182a3eba11a0b44c5 rdf:first sg:person.01327233733.70
144 rdf:rest N1e8499d6532443158e54f0769a92f6fa
145 N6c2ba80f72e34c6aa7dbe0d1bbbcbe02 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
146 schema:name Antiprotozoal Agents
147 rdf:type schema:DefinedTerm
148 N7b20121ac197452bb9c29073d9786cac schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
149 schema:name Glutathione
150 rdf:type schema:DefinedTerm
151 N7b518bf313e2432abc6c62a1b65088ae schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
152 schema:name Chagas Disease
153 rdf:type schema:DefinedTerm
154 N81765c104b7442628e278db56c4ba22b schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
155 schema:name Trypanosoma cruzi
156 rdf:type schema:DefinedTerm
157 N88ed2c7599174a8f8657516990d6585d rdf:first sg:person.01263455121.79
158 rdf:rest Nb150aff832934d189417d5ed4ca238b2
159 N8dce6c7d64a0456cbbff1b140da38e12 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
160 schema:name Amide Synthases
161 rdf:type schema:DefinedTerm
162 N910b4863402f45aca9621383ecf3464b rdf:first sg:person.0742534064.18
163 rdf:rest N88ed2c7599174a8f8657516990d6585d
164 Nb150aff832934d189417d5ed4ca238b2 rdf:first sg:person.0623153273.38
165 rdf:rest Nf5c61a1c8cc740a09558bc2b923eab68
166 Nb3bf37b9a97c4d2a884f64cf74c9e503 schema:name nlm_unique_id
167 schema:value 8710425
168 rdf:type schema:PropertyValue
169 Nc9f645ee4c0541e1b7403bba1dfece40 schema:name readcube_id
170 schema:value 899027a1d518604b62e8580da46fbb562dd6877ddd5d4d1d8d358cb736e344a5
171 rdf:type schema:PropertyValue
172 Ncd07385ee41245bca2caf1635ec18b15 schema:name doi
173 schema:value 10.1007/s10822-016-9903-6
174 rdf:type schema:PropertyValue
175 Nd77ce817b9404a70a9cd5fe2aad30402 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
176 schema:name Spermidine
177 rdf:type schema:DefinedTerm
178 Nda2911af5fe5418fb92025492fc804fd rdf:first sg:person.01331570321.41
179 rdf:rest N910b4863402f45aca9621383ecf3464b
180 Nec54c736faeb40a095dd4b8518b2b21b schema:name dimensions_id
181 schema:value pub.1028876884
182 rdf:type schema:PropertyValue
183 Nf5c61a1c8cc740a09558bc2b923eab68 rdf:first sg:person.0622770046.35
184 rdf:rest N5d6ab1d86562439098796dae258afb90
185 Nf625d9f427d6436ba61bf15cfbc1ab2e schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
186 schema:name Imidazoles
187 rdf:type schema:DefinedTerm
188 Nf7d3feecfeeb4671b07acd70ad2e4567 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
189 schema:name Drug Repositioning
190 rdf:type schema:DefinedTerm
191 anzsrc-for:11 schema:inDefinedTermSet anzsrc-for:
192 schema:name Medical and Health Sciences
193 rdf:type schema:DefinedTerm
194 anzsrc-for:1115 schema:inDefinedTermSet anzsrc-for:
195 schema:name Pharmacology and Pharmaceutical Sciences
196 rdf:type schema:DefinedTerm
197 sg:journal.1105375 schema:issn 0928-2866
198 1573-9023
199 schema:name Journal of Computer-Aided Molecular Design
200 rdf:type schema:Periodical
201 sg:person.01233457346.06 schema:affiliation https://www.grid.ac/institutes/grid.418532.9
202 schema:familyName Benitez
203 schema:givenName Diego
204 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01233457346.06
205 rdf:type schema:Person
206 sg:person.01262567411.70 schema:affiliation https://www.grid.ac/institutes/grid.418532.9
207 schema:familyName Medeiros
208 schema:givenName Andrea
209 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01262567411.70
210 rdf:type schema:Person
211 sg:person.01263455121.79 schema:affiliation https://www.grid.ac/institutes/grid.423606.5
212 schema:familyName Balcazar
213 schema:givenName Darío
214 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01263455121.79
215 rdf:type schema:Person
216 sg:person.01321346443.94 schema:affiliation https://www.grid.ac/institutes/grid.9499.d
217 schema:familyName Talevi
218 schema:givenName Alan
219 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01321346443.94
220 rdf:type schema:Person
221 sg:person.01327233733.70 schema:affiliation https://www.grid.ac/institutes/grid.418532.9
222 schema:familyName Comini
223 schema:givenName Marcelo
224 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01327233733.70
225 rdf:type schema:Person
226 sg:person.01331570321.41 schema:affiliation https://www.grid.ac/institutes/grid.9499.d
227 schema:familyName Alberca
228 schema:givenName Lucas N.
229 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01331570321.41
230 rdf:type schema:Person
231 sg:person.0622770046.35 schema:affiliation https://www.grid.ac/institutes/grid.423606.5
232 schema:familyName Carrillo
233 schema:givenName Carolina
234 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0622770046.35
235 rdf:type schema:Person
236 sg:person.0623153273.38 schema:affiliation https://www.grid.ac/institutes/grid.423606.5
237 schema:familyName Fraccaroli
238 schema:givenName Laura
239 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0623153273.38
240 rdf:type schema:Person
241 sg:person.0742534064.18 schema:affiliation https://www.grid.ac/institutes/grid.9499.d
242 schema:familyName Sbaraglini
243 schema:givenName María L.
244 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0742534064.18
245 rdf:type schema:Person
246 sg:pub.10.1007/s00436-005-0010-1 schema:sameAs https://app.dimensions.ai/details/publication/pub.1038798440
247 https://doi.org/10.1007/s00436-005-0010-1
248 rdf:type schema:CreativeWork
249 sg:pub.10.1038/nrd1468 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010423625
250 https://doi.org/10.1038/nrd1468
251 rdf:type schema:CreativeWork
252 sg:pub.10.1186/1758-2946-6-s1-p17 schema:sameAs https://app.dimensions.ai/details/publication/pub.1019323119
253 https://doi.org/10.1186/1758-2946-6-s1-p17
254 rdf:type schema:CreativeWork
255 https://app.dimensions.ai/details/publication/pub.1077804622 schema:CreativeWork
256 https://app.dimensions.ai/details/publication/pub.1079042474 schema:CreativeWork
257 https://doi.org/10.1016/0022-1759(83)90303-4 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053705634
258 rdf:type schema:CreativeWork
259 https://doi.org/10.1016/j.actatropica.2014.02.012 schema:sameAs https://app.dimensions.ai/details/publication/pub.1044457469
260 rdf:type schema:CreativeWork
261 https://doi.org/10.1016/j.bbrc.2006.03.215 schema:sameAs https://app.dimensions.ai/details/publication/pub.1017764364
262 rdf:type schema:CreativeWork
263 https://doi.org/10.1016/j.bcp.2007.03.020 schema:sameAs https://app.dimensions.ai/details/publication/pub.1038553984
264 rdf:type schema:CreativeWork
265 https://doi.org/10.1016/j.bmc.2007.11.077 schema:sameAs https://app.dimensions.ai/details/publication/pub.1008093374
266 rdf:type schema:CreativeWork
267 https://doi.org/10.1016/j.bmcl.2012.11.072 schema:sameAs https://app.dimensions.ai/details/publication/pub.1045010304
268 rdf:type schema:CreativeWork
269 https://doi.org/10.1016/j.drudis.2011.02.016 schema:sameAs https://app.dimensions.ai/details/publication/pub.1043009018
270 rdf:type schema:CreativeWork
271 https://doi.org/10.1016/j.drudis.2012.08.005 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010946618
272 rdf:type schema:CreativeWork
273 https://doi.org/10.1016/j.ejmech.2004.07.001 schema:sameAs https://app.dimensions.ai/details/publication/pub.1036778786
274 rdf:type schema:CreativeWork
275 https://doi.org/10.1016/j.ejmech.2006.11.006 schema:sameAs https://app.dimensions.ai/details/publication/pub.1044530302
276 rdf:type schema:CreativeWork
277 https://doi.org/10.1016/j.ejmech.2013.11.011 schema:sameAs https://app.dimensions.ai/details/publication/pub.1007954825
278 rdf:type schema:CreativeWork
279 https://doi.org/10.1016/j.ejmech.2014.06.020 schema:sameAs https://app.dimensions.ai/details/publication/pub.1033169465
280 rdf:type schema:CreativeWork
281 https://doi.org/10.1016/j.ejmech.2015.01.065 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042506482
282 rdf:type schema:CreativeWork
283 https://doi.org/10.1016/j.exppara.2009.06.004 schema:sameAs https://app.dimensions.ai/details/publication/pub.1031231373
284 rdf:type schema:CreativeWork
285 https://doi.org/10.1016/j.exppara.2010.10.010 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002886587
286 rdf:type schema:CreativeWork
287 https://doi.org/10.1016/j.freeradbiomed.2004.02.008 schema:sameAs https://app.dimensions.ai/details/publication/pub.1039064341
288 rdf:type schema:CreativeWork
289 https://doi.org/10.1016/j.freeradbiomed.2014.05.007 schema:sameAs https://app.dimensions.ai/details/publication/pub.1005128122
290 rdf:type schema:CreativeWork
291 https://doi.org/10.1016/j.jacc.2013.05.046 schema:sameAs https://app.dimensions.ai/details/publication/pub.1050157045
292 rdf:type schema:CreativeWork
293 https://doi.org/10.1016/j.jinorgbio.2013.02.010 schema:sameAs https://app.dimensions.ai/details/publication/pub.1011468500
294 rdf:type schema:CreativeWork
295 https://doi.org/10.1016/j.patcog.2014.03.021 schema:sameAs https://app.dimensions.ai/details/publication/pub.1048405639
296 rdf:type schema:CreativeWork
297 https://doi.org/10.1016/j.pt.2005.08.026 schema:sameAs https://app.dimensions.ai/details/publication/pub.1006171122
298 rdf:type schema:CreativeWork
299 https://doi.org/10.1016/s0014-5793(99)00804-2 schema:sameAs https://app.dimensions.ai/details/publication/pub.1026750237
300 rdf:type schema:CreativeWork
301 https://doi.org/10.1016/s0166-6851(96)02815-0 schema:sameAs https://app.dimensions.ai/details/publication/pub.1030054692
302 rdf:type schema:CreativeWork
303 https://doi.org/10.1016/s0960-894x(03)00319-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1026989933
304 rdf:type schema:CreativeWork
305 https://doi.org/10.1021/ci010291a schema:sameAs https://app.dimensions.ai/details/publication/pub.1055401250
306 rdf:type schema:CreativeWork
307 https://doi.org/10.1021/ci049714+ schema:sameAs https://app.dimensions.ai/details/publication/pub.1055401846
308 rdf:type schema:CreativeWork
309 https://doi.org/10.1021/ci050011h schema:sameAs https://app.dimensions.ai/details/publication/pub.1055401991
310 rdf:type schema:CreativeWork
311 https://doi.org/10.1021/ci100297y schema:sameAs https://app.dimensions.ai/details/publication/pub.1055402482
312 rdf:type schema:CreativeWork
313 https://doi.org/10.1021/ci400284v schema:sameAs https://app.dimensions.ai/details/publication/pub.1055403233
314 rdf:type schema:CreativeWork
315 https://doi.org/10.1021/ci8000887 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055404487
316 rdf:type schema:CreativeWork
317 https://doi.org/10.1021/jm010854+ schema:sameAs https://app.dimensions.ai/details/publication/pub.1055946833
318 rdf:type schema:CreativeWork
319 https://doi.org/10.1021/jm049092j schema:sameAs https://app.dimensions.ai/details/publication/pub.1055948882
320 rdf:type schema:CreativeWork
321 https://doi.org/10.1021/jm050468i schema:sameAs https://app.dimensions.ai/details/publication/pub.1055949633
322 rdf:type schema:CreativeWork
323 https://doi.org/10.1021/jm1008456 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055951818
324 rdf:type schema:CreativeWork
325 https://doi.org/10.1021/jm201548z schema:sameAs https://app.dimensions.ai/details/publication/pub.1055952764
326 rdf:type schema:CreativeWork
327 https://doi.org/10.1021/jm300687e schema:sameAs https://app.dimensions.ai/details/publication/pub.1013688655
328 rdf:type schema:CreativeWork
329 https://doi.org/10.1021/jm301112z schema:sameAs https://app.dimensions.ai/details/publication/pub.1055953295
330 rdf:type schema:CreativeWork
331 https://doi.org/10.1021/jm400508e schema:sameAs https://app.dimensions.ai/details/publication/pub.1055953809
332 rdf:type schema:CreativeWork
333 https://doi.org/10.1042/bj20071185 schema:sameAs https://app.dimensions.ai/details/publication/pub.1038642420
334 rdf:type schema:CreativeWork
335 https://doi.org/10.1042/bj20110362 schema:sameAs https://app.dimensions.ai/details/publication/pub.1023367147
336 rdf:type schema:CreativeWork
337 https://doi.org/10.1056/nejmoa1507574 schema:sameAs https://app.dimensions.ai/details/publication/pub.1032716573
338 rdf:type schema:CreativeWork
339 https://doi.org/10.1089/adt.2015.29011.tiodrrr schema:sameAs https://app.dimensions.ai/details/publication/pub.1019149582
340 rdf:type schema:CreativeWork
341 https://doi.org/10.1093/jac/dkp290 schema:sameAs https://app.dimensions.ai/details/publication/pub.1023570403
342 rdf:type schema:CreativeWork
343 https://doi.org/10.1093/nar/gkq1126 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010727021
344 rdf:type schema:CreativeWork
345 https://doi.org/10.1111/j.1365-2958.2010.07081.x schema:sameAs https://app.dimensions.ai/details/publication/pub.1017026533
346 rdf:type schema:CreativeWork
347 https://doi.org/10.1111/j.1550-7408.2003.tb00141.x schema:sameAs https://app.dimensions.ai/details/publication/pub.1033099647
348 rdf:type schema:CreativeWork
349 https://doi.org/10.1126/scitranslmed.aaa0154 schema:sameAs https://app.dimensions.ai/details/publication/pub.1062688586
350 rdf:type schema:CreativeWork
351 https://doi.org/10.1128/aac.00038-08 schema:sameAs https://app.dimensions.ai/details/publication/pub.1031416417
352 rdf:type schema:CreativeWork
353 https://doi.org/10.1128/aac.00229-11 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002944476
354 rdf:type schema:CreativeWork
355 https://doi.org/10.1128/aac.06404-11 schema:sameAs https://app.dimensions.ai/details/publication/pub.1062709762
356 rdf:type schema:CreativeWork
357 https://doi.org/10.1128/aac.37.10.2235 schema:sameAs https://app.dimensions.ai/details/publication/pub.1045963908
358 rdf:type schema:CreativeWork
359 https://doi.org/10.1371/journal.pone.0019541 schema:sameAs https://app.dimensions.ai/details/publication/pub.1048063378
360 rdf:type schema:CreativeWork
361 https://doi.org/10.1371/journal.pone.0079568 schema:sameAs https://app.dimensions.ai/details/publication/pub.1022789015
362 rdf:type schema:CreativeWork
363 https://doi.org/10.1586/17512433.2014.909282 schema:sameAs https://app.dimensions.ai/details/publication/pub.1038781862
364 rdf:type schema:CreativeWork
365 https://doi.org/10.1590/s0074-02762002000100001 schema:sameAs https://app.dimensions.ai/details/publication/pub.1016018114
366 rdf:type schema:CreativeWork
367 https://doi.org/10.1590/s0074-02762009000900006 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010565055
368 rdf:type schema:CreativeWork
369 https://doi.org/10.1590/s0074-02762010000300001 schema:sameAs https://app.dimensions.ai/details/publication/pub.1050009936
370 rdf:type schema:CreativeWork
371 https://doi.org/10.1590/s0074-02762010000300009 schema:sameAs https://app.dimensions.ai/details/publication/pub.1004160758
372 rdf:type schema:CreativeWork
373 https://doi.org/10.2147/dddt.s46289 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042849179
374 rdf:type schema:CreativeWork
375 https://doi.org/10.2174/1568026616666160216154309 schema:sameAs https://app.dimensions.ai/details/publication/pub.1069195463
376 rdf:type schema:CreativeWork
377 https://doi.org/10.2174/157340912801619076 schema:sameAs https://app.dimensions.ai/details/publication/pub.1069211115
378 rdf:type schema:CreativeWork
379 https://doi.org/10.2307/2531595 schema:sameAs https://app.dimensions.ai/details/publication/pub.1069977037
380 rdf:type schema:CreativeWork
381 https://www.grid.ac/institutes/grid.418532.9 schema:alternateName Institut Pasteur de Montevideo
382 schema:name Laboratory Redox Biology of Trypanosomes, Institut Pasteur de Montevideo, 11400, Montevideo, Uruguay
383 rdf:type schema:Organization
384 https://www.grid.ac/institutes/grid.423606.5 schema:alternateName National Scientific and Technical Research Council
385 schema:name Instituto de Ciencias y Tecnología Dr. César Milstein (ICT Milstein), Argentinean National Council of Scientific and Technical Research (CONICET), Buenos Aires, Argentina
386 rdf:type schema:Organization
387 https://www.grid.ac/institutes/grid.9499.d schema:alternateName National University of La Plata
388 schema:name Laboratory of Bioactive Compounds Research and Development (LIDeB), Medicinal Chemistry, Department of Biological Science, Exact Sciences College, National University of La Plata (UNLP), Argentina, 47 & 115, B1900AJI, La Plata, Buenos Aires, Argentina
389 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...