dc.creator | Dellafiora, Luca | es |
dc.creator | Aichinger, Georg | es |
dc.creator | Geib, Elena | es |
dc.creator | Sánchez Barrionuevo, Leyre | es |
dc.creator | Brock, Matthias | es |
dc.creator | Cánovas López, David | es |
dc.creator | Dall'Asta, Chiara | es |
dc.creator | Marko, Doris | es |
dc.date.accessioned | 2022-03-24T16:41:24Z | |
dc.date.available | 2022-03-24T16:41:24Z | |
dc.date.issued | 2019 | |
dc.identifier.citation | Dellafiora, L., Aichinger, G., Geib, E., Sánchez Barrionuevo, L., Brock, M., Cánovas López, D.,...,Marko, D. (2019). Hybrid in silico/in vitro target fishing to assign function to “orphan” compounds of food origin – The case of the fungal metabolite atromentin. Food Chemistry, 270, 61-69. | |
dc.identifier.issn | 0308-8146 | es |
dc.identifier.issn | 1873-7072 | es |
dc.identifier.uri | https://hdl.handle.net/11441/131273 | |
dc.description.abstract | Many small molecules of food origin may effect human health but lack an adequate description of their biological activity. To fill this knowledge gap, a first-line workflow is needed to assign putative functions, rank the endpoints for testing and guide wet-lab experiments. In this framework, the identification of potential biological targets can be used to probe the activity of orphan compounds using a so-called “target fishing” approach. Here, we present a proof of concept study using an in silico/in vitro target fishing approach on the fungal secondary metabolite atromentin. The procedure relies on a computational screening for activity identification coupled with experimental trials for dose-response characterization. Computational results identified estrogen receptors and 17-β-hydroxysteroid dehydrogenase as potential targets. Experiments confirmed a weak estrogenic activity, supporting the reliability of the procedure. Despite limited estrogenicity of atromentin, the proposed inhibition of 17-β-hydroxysteroid dehydrogenase should be considered as a source for endocrine disruptive effects. | es |
dc.format | application/pdf | es |
dc.format.extent | 37 p. | es |
dc.language.iso | eng | es |
dc.publisher | Elsevier | es |
dc.relation.ispartof | Food Chemistry, 270, 61-69. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | 17-β-Hydroxysteroid dehydrogenase | es |
dc.subject | Activity assignment | es |
dc.subject | Atromentin | es |
dc.subject | Estrogenic activity | es |
dc.subject | Fungal metabolite | es |
dc.subject | Target fishing | es |
dc.title | Hybrid in silico/in vitro target fishing to assign function to “orphan” compounds of food origin – The case of the fungal metabolite atromentin | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/acceptedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Genética | es |
dc.relation.publisherversion | https://doi.org/10.1016/j.foodchem.2018.07.027 | es |
dc.identifier.doi | 10.1016/j.foodchem.2018.07.027 | es |
dc.journaltitle | Food Chemistry | es |
dc.publication.volumen | 270 | es |
dc.publication.initialPage | 61 | es |
dc.publication.endPage | 69 | es |