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dc.contributor.authorAuthorBenites, Julio
dc.contributor.authorAuthorValderrama, Jaime A.
dc.contributor.authorAuthorContreras, Álvaro
dc.contributor.authorAuthorEnríquez, Cinthya
dc.contributor.authorAuthorPino-Rios, Ricardo
dc.contributor.authorAuthorYáñez, Osvaldo
dc.contributor.authorAuthorBuc Calderon, Pedro
dc.date.accessionedDate Accessioned2024-09-03T19:17:40Z
dc.date.availableDate Available2024-09-03T19:17:40Z
dc.date.issuedDate Issued2023
dc.identifier.citationReferencia BibliográficaMolecules, 28(11), 23 p.
dc.identifier.issnISSN1420-3049
dc.identifier.uriURIhttp://repositorio.udla.cl/xmlui/handle/udla/1344
dc.identifier.uriURIhttps://www.mdpi.com/journal/molecules
dc.description.abstractAbstractA 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.isoLanguage ISOeng
dc.publisherPublisherMDPI
dc.rightsRightsCreative Commons Attribution License (CC BY)
dc.sourceSourcesMolecules
dc.subjectSubjectAntiproliferative activity
dc.subjectSubjectMolecular descriptors
dc.subjectSubjectMolecular docking
dc.subjectSubjectmTOR
dc.subject.lcshdc.subject.lcshCélulas cancerosas
dc.subject.lcshdc.subject.lcshQuinonas
dc.titleTitleDiscovery 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.typeDocument TypeArtículo
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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