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EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals

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col.comunidadvinculadaComunidad científica colombianaes_CO
col.contrato0572-2012es_CO
col.date.proyecto2018-01
col.programa.colcienciasProgramas de CT+I Ejecutados por Redes de Conocimientoes_CO
col.tipo.espArtículos de investigaciónes_CO
dc.audienceAdministradores de ciencia y tecnologíaes_CO
dc.audienceInvestigadoreses_CO
dc.coverage.spatialColombiaes_CO
dc.creatorMontes Grajales, Diana Lucía
dc.creatorOlivero Vebel, Jesús
dc.creator.corporativoBio-Red-CO-CENIVAMes_CO
dc.creator.corporativoUniversidad de Cartagena, Unicartagenaes_CO
dc.creator.mailjoliverov@unicartagena.edu.coes_CO
dc.date.accessioned2019-04-01T00:03:14Z
dc.date.available2019-04-01T00:03:14Z
dc.date.issued2014
dc.description.abstractEndocrine disrupting chemicals (EDCs) are a group of compounds that affect the endocrine system, frequently found in everyday products and epidemiologically associated with several diseases. The purpose of this work was to develop EDCs DataBank, the only database of EDCs with three-dimensional structures. This database was built on MySQL using the EU list of potential endocrine disruptors and TEDX list. It contains the three-dimensional structures available on PubChem, as well as a wide variety of information from different databases and text mining tools, useful for almost any kind of research regarding EDCs. The web platform was developed employing HTML, CSS and PHP languages, with dynamic contents in a graphic environment, facilitating information analysis. Currently EDCs DataBank has 615 molecules, including pesticides, natural and industrial products, cosmetics, drugs and food additives, among other low molecular weight xenobiotics. Therefore, this database can be used to study the toxicological effects of these molecules, or to develop pharmaceuticals targeting hormone receptors, through docking studies, high-throughput virtual screening and ligand-protein interaction analysises_CO
dc.description.isprojectnoes_CO
dc.description.projectid5507-543-31904es_CO
dc.description.projectnamePrograma: Bioprospección y desarrollo de ingredientes naturales para las industrias cosmética, farmacéutica y de productos de aseo con base en la biodiversidad colombianaes_CO
dc.description.sponsorshipDepartamento Administrativo de Ciencia, Tecnología e Innovación [CO] Colcienciases_CO
dc.formatpdfes_CO
dc.format.extent8 páginases_CO
dc.identifier.bibliographicCitationContiene 42 referencias bibliográficas. Véase documento adjuntoes_CO
dc.identifier.doi10.1016/j.tox.2014.11.006
dc.identifier.issn0300-483X
dc.identifier.urihttp://repositorio.colciencias.gov.co/handle/11146/34170
dc.language.isoenges_CO
dc.relation.ispartofPrograma: Bioprospección y desarrollo de ingredientes naturales para las industrias cosmética, farmacéutica y de productos de aseo con base en la biodiversidad colombiana. La publicación completa está disponible en : <a href="http://repositorio.colciencias.gov.co/handle/11146/34163" target="blank">http://repositorio.colciencias.gov.co/handle/11146/34163</a>es_CO
dc.rightsinfo:eu-repo/semantics/openAccesses_CO
dc.sourceToxicology 327 (2015) 87-94es_CO
dc.subject.keywordXenobiotic
dc.subject.keywordEndocrine disruptor
dc.subject.keywordDatabase
dc.subject.keywordVirtual screening
dc.subject.keywordComputational toxicology
dc.subject.lembSistema endocrinoes_CO
dc.subject.lembBiomasaes_CO
dc.subject.spinesAceites esencialeses_CO
dc.subject.spinesBiología moleculares_CO
dc.subject.spinesAceites vegetaleses_CO
dc.subject.spinesTecnología químicaes_CO
dc.subject.spinesQuímica agrícolaes_CO
dc.titleEDCs DataBank: 3D-Structure database of endocrine disrupting chemicalses_CO
dc.typeArtículo científicoes_CO
dc.type.driverinfo:eu-repo/semantics/articlees_CO
dc.type.hasversioninfo:eu-repo/semantics/publishedVersiones_CO
dspace.entity.typePublication

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