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dc.contributor.authorAutorBenites, Julio
dc.contributor.authorAutorValderrama, Jaime A.
dc.contributor.authorAutorContreras, Álvaro
dc.contributor.authorAutorEnríquez, Cinthya
dc.contributor.authorAutorPino-Rios, Ricardo
dc.contributor.authorAutorYáñez, Osvaldo
dc.contributor.authorAutorBuc Calderon, Pedro
dc.date.accessionedFecha ingreso2024-09-03T19:17:40Z
dc.date.availableFecha disponible2024-09-03T19:17:40Z
dc.date.issuedFecha publicación2023
dc.identifier.citationReferencia BibliográficaMolecules, 28(11), 23 p.
dc.identifier.issnISSN1420-3049
dc.identifier.uriURLhttp://repositorio.udla.cl/xmlui/handle/udla/1344
dc.identifier.uriURLhttps://www.mdpi.com/journal/molecules
dc.description.abstractResumenA series of 2-phenylamino-3-acyl-1,4-naphtoquinones were evaluated regarding their in vitro antiproliferative activities using DU-145, MCF-7 and T24 cancer cells. Such activities were discussed in terms of molecular descriptors such as half-wave potentials, hydrophobicity and molar refractivity. Compounds 4 and 11 displayed the highest antiproliferative activity against the three cancer cells and were therefore further investigated. The in silico prediction of drug likeness, using pkCSM and SwissADME explorer online, shows that compound 11 is a suitable lead molecule to be developed. Moreover, the expressions of key genes were studied in DU-145 cancer cells. They include genes involved in apoptosis (Bcl-2), tumor metabolism regulation (mTOR), redox homeostasis (GSR), cell cycle regulation (CDC25A), cell cycle progression (TP53), epigenetic (HDAC4), cell-cell communication (CCN2) and inflammatory pathways (TNF). Compound 11 displays an interesting profile because among these genes, mTOR was significantly less expressed as compared to control conditions. Molecular docking shows that compound 11 has good affinity with mTOR, unraveling a potential inhibitory effect on this protein. Due to the key role of mTOR on tumor metabolism, we suggest that impaired DU-145 cells proliferation by compound 11 is caused by a reduced mTOR expression (less mTOR protein) and inhibitory activity on mTOR protein.
dc.format.extentdc.format.extent23 páginas
dc.format.extentdc.format.extent3.510Mb
dc.format.mimetypedc.format.mimetypePDF
dc.language.isoLenguaje ISOeng
dc.publisherEditorMDPI
dc.rightsDerechosCreative Commons Attribution License (CC BY)
dc.sourceFuentesMolecules
dc.subjectPalabras ClavesAntiproliferative activity
dc.subjectPalabras ClavesMolecular descriptors
dc.subjectPalabras ClavesMolecular docking
dc.subjectPalabras ClavesmTOR
dc.subject.lcshdc.subject.lcshCélulas cancerosas
dc.subject.lcshdc.subject.lcshQuinonas
dc.titleTítuloDiscovery of New 2-Phenylamino-3-acyl-1,4-naphthoquinones as Inhibitors of Cancer Cells Proliferation: Searching for Intra-Cellular Targets Playing a Role in Cancer Cells Survival
dc.typeTipo de DocumentoArtículo
dc.udla.catalogadordc.udla.catalogadorCBM
dc.udla.indexdc.udla.indexWoS
dc.udla.indexdc.udla.indexScience Citation Index Expanded
dc.udla.indexdc.udla.indexScopus
dc.udla.indexdc.udla.indexAcademic Search Ultimate
dc.udla.indexdc.udla.indexDOAJ
dc.udla.indexdc.udla.indexEMBASE
dc.udla.indexdc.udla.indexMEDLINE
dc.identifier.doidc.identifier.doi10.3390/molecules28114323
dc.facultaddc.facultadFacultad de Ingeniería y Negocios


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