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dc.creatorIsca, Vera M.S.
dc.creatorSencanski, Milan
dc.creatorFilipović, Nenad
dc.creatorDos Santos, Daniel J.V.A.
dc.creatorCipak-Gasparović, Ana
dc.creatorSaraiva, Lucilia
dc.creatorAfonso, Carlos A.M.
dc.creatorRijo, Patricia
dc.creatorGarcia-Sosa, Alfonso T.
dc.date.accessioned2020-12-17T22:57:27Z
dc.date.available2020-12-17T22:57:27Z
dc.date.issued2020
dc.identifier.issn1661-6596
dc.identifier.urihttp://aspace.agrif.bg.ac.rs/handle/123456789/5386
dc.description.abstractPlants have been used for centuries to treat several illnesses. The Plectranthus genus has a vast variety of species that has allowed the isolation of cytotoxic compounds with notable activities. The abietane diterpenes 6,7-dehydroroyleanone (DeRoy, 1), 7 alpha -acetoxy-6 beta -hydroxyroyleanone (Roy, 2), and Parvifloron D (ParvD, 3) were obtained from Plectranthus spp. and showed promising biological activities, such as cytotoxicity. The inhibitory effects of the different natural abietanes (1-3) were compared in MFC7, SkBr3, and SUM159 cell lines, as well as SUM159 grown in cancer stem cell-inducing conditions. Based on the royleanones' bioactivity, the derivatives RoyBz (4), RoyBzCl (5), RoyPr(2) (6), and DihydroxyRoy (7), previously obtained from 2, were selected for further studies. Protein kinases C (PKCs) are involved in several carcinogenic processes. Thus, PKCs are potential targets for cancer therapy. To date, the portfolio of available PKC modulators remains very limited due to the difficulty of designing isozyme-selective PKC modulators. As such, molecular docking was used to evaluate royleanones 1-6 as predicted isozyme-selective PKC binders. Subtle changes in the binding site of each PKC isoform change the predicted interaction profiles of the ligands. Subtle changes in royleanone substitution patterns, such as a double substitution only with non-substituted phenyls, or hydroxybenzoate at position four that flips the binding mode of ParvD (3), can increase the predicted interactions in certain PKC subtypes.en
dc.publisherMDPI, BASEL
dc.relationFundacao para a Ciencia e Tecnologia (FCT)Portuguese Foundation for Science and Technology [UIDP/04567/2020, UIDB/04567/2020, UID/QUI/50006/2020, CBIOS/PRUID/BI1/2017, SFRH/BD/137671/2018]
dc.relationEuropean Union (FEDER funds through Programa Operacional Factores de Competitividade-COMPETE)European Union (EU) [POCI/01/0145/FEDER/007728]
dc.relationNational Funds (FCT/MEC, Fundacao para a Ciencia e Tecnologia and Ministerio da Educacao e Ciencia) under the Partnership Agreement PT2020 [UID/MULTI/04378/2013, 3599-PPCDT, PTDC/DTP-FTO/1981/2014-POCI-01-0145-FEDER-016581]
dc.relationHaridus-ja Teadusministeerium [IUT34-14]
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173001/RS//
dc.relationEU COST Action Stratagem "New diagnostic and therapeutic tools against multidrug resistant tumours"
dc.rightsopenAccess
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceInternational Journal of Molecular Sciences
dc.subjectPlectranthusen
dc.subjectroyleanonesen
dc.subjecthemi-synthesisen
dc.subjectPKC activityen
dc.subjectisozyme-selectivityen
dc.subjectmolecular interactionsen
dc.titleActivity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanonesen
dc.typearticle
dc.rights.licenseBY
dc.citation.issue10
dc.citation.other21(10): -
dc.citation.volume21
dc.identifier.doi10.3390/ijms21103671
dc.identifier.fulltexthttp://aspace.agrif.bg.ac.rs/bitstream/id/3884/5383.pdf
dc.identifier.scopus2-s2.0-85085539387
dc.identifier.pmid32456148
dc.identifier.wos000539312100267
dc.type.versionpublishedVersion


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