Please use this identifier to cite or link to this item: https://hdl.handle.net/11000/30652
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dc.contributor.authorRuiz-Torres, Veronica-
dc.contributor.authorLosada-Echeberría, María-
dc.contributor.authorHerranz-Lopez, Maria-
dc.contributor.authorBarrajón-Catalán, Enrique-
dc.contributor.authorGaliano, Vicente-
dc.contributor.authorMicol, Vicente-
dc.contributor.authorEncinar, José Antonio-
dc.contributor.otherDepartamentos de la UMH::Bioquímica y Biología Moleculares_ES
dc.date.accessioned2024-01-26T08:58:32Z-
dc.date.available2024-01-26T08:58:32Z-
dc.date.created2018-10-12-
dc.identifier.citationMarine Drugs 16(10), 2018, 385es_ES
dc.identifier.issn1660-3397-
dc.identifier.urihttps://hdl.handle.net/11000/30652-
dc.description.abstractMammalian target of rapamycin (mTOR) is a PI3K-related serine/threonine protein kinase that functions as a master regulator of cellular growth and metabolism, in response to nutrient and hormonal stimuli. mTOR functions in two distinct complexes—mTORC1 is sensitive to rapamycin, while, mTORC2 is insensitive to this drug. Deregulation of mTOR’s enzymatic activity has roles in cancer, obesity, and aging. Rapamycin and its chemical derivatives are the only drugs that inhibit the hyperactivity of mTOR, but numerous side effects have been described due to its therapeutic use. The purpose of this study was to identify new compounds of natural origin that can lead to drugs with fewer side effects. We have used computational techniques (molecular docking and calculated ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) parameters) that have enabled the selection of candidate compounds, derived from marine natural products, SuperNatural II, and ZINC natural products, for inhibitors targeting, both, the ATP and the rapamycin binding sites of mTOR. We have shown experimental evidence of the inhibitory activity of eleven selected compounds against mTOR. We have also discovered the inhibitory activity of a new marine extract against this enzyme. The results have been discussed concerning the necessity to identify new molecules for therapeutic use, especially against aging, and with fewer side effects.es_ES
dc.formatapplication/pdfes_ES
dc.format.extent24es_ES
dc.language.isoenges_ES
dc.publisherMDPIes_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectmTOR kinasees_ES
dc.subjectmarine natural productses_ES
dc.subjectnatural productses_ES
dc.subjectinhibitorses_ES
dc.subjectaginges_ES
dc.subjectobesityes_ES
dc.subjectcanceres_ES
dc.subjectvirtual screeninges_ES
dc.subjectmolecular dockinges_ES
dc.subjectcalculated ADMETes_ES
dc.subject.classificationBioquímica y Biología Moleculares_ES
dc.subject.otherCDU::5 - Ciencias puras y naturales::57 - Biología::577 - Bioquímica. Biología molecular. Biofísicaes_ES
dc.titleNew Mammalian Target of Rapamycin (mTOR) Modulators Derived from Natural Product Databases and Marine Extracts by Using Molecular Docking Techniqueses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publisherversionhttps://doi.org/10.3390/md16100385es_ES
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Artículos Bioquímica y Biología Molecular


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