{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,15]],"date-time":"2026-01-15T11:02:33Z","timestamp":1768474953987,"version":"3.49.0"},"reference-count":53,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2020,5,23]],"date-time":"2020-05-23T00:00:00Z","timestamp":1590192000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003510","name":"Haridus- ja Teadusministeerium","doi-asserted-by":"publisher","award":["IUT34-14"],"award-info":[{"award-number":["IUT34-14"]}],"id":[{"id":"10.13039\/501100003510","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UID\/DTP\/04567\/2019, UID\/QUI\/50006\/2020 and grants CBIOS\/PRUID\/BI1\/2017 and SFRH\/BD\/137671\/2018."],"award-info":[{"award-number":["UID\/DTP\/04567\/2019, UID\/QUI\/50006\/2020 and grants CBIOS\/PRUID\/BI1\/2017 and SFRH\/BD\/137671\/2018."]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["PT2020 UID\/MULTI\/04378\/2013 and the project (3599-PPCDT) PTDC\/DTP-FTO\/1981\/2014 \u2013 POCI-01-0145-FEDER-016581"],"award-info":[{"award-number":["PT2020 UID\/MULTI\/04378\/2013 and the project (3599-PPCDT) PTDC\/DTP-FTO\/1981\/2014 \u2013 POCI-01-0145-FEDER-016581"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"publisher","award":["POCI\/01\/0145\/FEDER\/007728"],"award-info":[{"award-number":["POCI\/01\/0145\/FEDER\/007728"]}],"id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004564","name":"Ministarstvo Prosvete, Nauke i Tehnolo\u0161kog Razvoja","doi-asserted-by":"publisher","award":["173001"],"award-info":[{"award-number":["173001"]}],"id":[{"id":"10.13039\/501100004564","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Plants 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\u03b1-acetoxy-6\u03b2-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\u2019 bioactivity, the derivatives RoyBz (4), RoyBzCl (5), RoyPr2 (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.<\/jats:p>","DOI":"10.3390\/ijms21103671","type":"journal-article","created":{"date-parts":[[2020,5,25]],"date-time":"2020-05-25T06:43:40Z","timestamp":1590389020000},"page":"3671","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones"],"prefix":"10.3390","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9045-7287","authenticated-orcid":false,"given":"Vera","family":"Isca","sequence":"first","affiliation":[{"name":"Center for Research in Biosciences &amp; Health Technologies (CBIOS), Universidade Lus\u00f3fona de Humanidades e Tecnologias, 1749-024 Lisboa, Portugal"},{"name":"Instituto de Investiga\u00e7\u00e3o do Medicamento (iMed.ULisboa), Faculdade de Farm\u00e1cia, Universidade de Lisboa, 1649-003 Lisboa, Portugal"}]},{"given":"Milan","family":"Sencanski","sequence":"additional","affiliation":[{"name":"Laboratory for Bioinformatics and Computational Chemistry, Institute of Nuclear Sciences VINCA, University of Belgrade, P.O. Box 522, 11001 Belgrade, Serbia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2982-5324","authenticated-orcid":false,"given":"Nenad","family":"Filipovic","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, Faculty of Agriculture, University of Belgrade, 11001 Belgrade, Serbia"}]},{"given":"Daniel","family":"Dos Santos","sequence":"additional","affiliation":[{"name":"Instituto de Investiga\u00e7\u00e3o do Medicamento (iMed.ULisboa), Faculdade de Farm\u00e1cia, Universidade de Lisboa, 1649-003 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2000-8950","authenticated-orcid":false,"given":"Ana","family":"\u010cipak Ga\u0161parovi\u0107","sequence":"additional","affiliation":[{"name":"Rudjer Boskovic Institute, Bijenicka 54, HR-10000 Zagreb, Croatia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9531-4939","authenticated-orcid":false,"given":"Luc\u00edlia","family":"Sara\u00edva","sequence":"additional","affiliation":[{"name":"LAQV\/REQUIMTE, Laborat\u00f3rio de Microbiologia, Departamento de Ci\u00eancias Biol\u00f3gicas, Faculdade de Farm\u00e1cia, Universidade do Porto, Rua de Jorge Viterbo Ferreira n.\u00ba 228, 4050-313 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7284-5948","authenticated-orcid":false,"given":"Carlos","family":"Afonso","sequence":"additional","affiliation":[{"name":"Instituto de Investiga\u00e7\u00e3o do Medicamento (iMed.ULisboa), Faculdade de Farm\u00e1cia, Universidade de Lisboa, 1649-003 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7992-8343","authenticated-orcid":false,"given":"Patr\u00edcia","family":"Rijo","sequence":"additional","affiliation":[{"name":"Center for Research in Biosciences &amp; Health Technologies (CBIOS), Universidade Lus\u00f3fona de Humanidades e Tecnologias, 1749-024 Lisboa, Portugal"},{"name":"Instituto de Investiga\u00e7\u00e3o do Medicamento (iMed.ULisboa), Faculdade de Farm\u00e1cia, Universidade de Lisboa, 1649-003 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0542-4446","authenticated-orcid":false,"given":"Alfonso","family":"Garc\u00eda-Sosa","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, University of Tartu, Ravila 14a, 54011 Tartu, Estonia"}]}],"member":"1968","published-online":{"date-parts":[[2020,5,23]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"687","DOI":"10.1111\/j.1751-7915.2010.00221.x","article-title":"Natural Products for Cancer Chemotherapy","volume":"4","author":"Demain","year":"2011","journal-title":"Microb. 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