Computer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9,10-anthracenedione as new anticancer agents

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dc.authoridEngin Ulukaya / 0000-0003-4875-5472en_US
dc.authorscopusidEngin Ulukaya / 6602927353
dc.authorwosidEngin Ulukaya / K-5792-2018
dc.date.accessioned2020-08-30T20:08:20Z
dc.date.available2020-08-30T20:08:20Z
dc.date.issued2017
dc.departmentİstinye Üniversitesi, Tıp Fakültesi, Temel Tıp Bilimleri Bölümüen_US
dc.description.abstractAnticancer activity as an associated action for a series of dithiocarbamates of 9,10-anthracenedione was predicted using the PASS computer program and analysed with PharmaExpert software. The predicted cytotoxic activity of the dithiocarbamate derivatives of 9,10-anthracenedione was evaluated in vitro on cancer cells of the human lung (A549), prostate (PC3), colon (HT29) and human breast (MCF7) using the sulforhodamine B (SRB) cell viability assay. Among these compounds, 9,10-dioxo-9,10-dihydroanthracen-1-yl pyrrolidin-1-carbodithioate and 9,10-dioxo-9,10-dihydroanthracen-2-yl pyrrolidin-1-carbodithioate were identified as the most potent anticancer agents with cytotoxic activity against the MCF-7 human breast cell line with GI(50) values of 1.40 M and 1.52 M, whereas the GI(50) value for the reference anticancer drug mitoxantrone was 3.93 M. Thus, anticancer activity predicted by PASS with a probability Pa > 30% was confirmed by the experiment. Relatively small Pa values estimated by PASS indicated the novelty of the considered derivatives comparing to the compounds from the PASS training set.en_US
dc.description.sponsorshipMinistry of Education and Science of Ukraine, Scientific Research Project [0116U004138]; Scientific Research Projects Coordination Unit of Istanbul UniversityIstanbul University [NP-45621]; Russian State Academies of Sciences Fundamental Research Programen_US
dc.description.sponsorshipThe authors would like to express their gratitude to the Ministry of Education and Science of Ukraine, Scientific Research Project (Project Number: 0116U004138), Scientific Research Projects Coordination Unit of Istanbul University (Project Number: NP-45621) and to the Russian State Academies of Sciences Fundamental Research Program for 2013-2020 (VP and TG) for financial support.en_US
dc.identifier.citationStasevych, M., Zvarych, V., Lunin, V., Deniz, N. G., Gokmen, Z., Akgun, O., ... & Novikov, V. (2017). Computer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9, 10-anthracenedione as new anticancer agents. SAR and QSAR in Environmental Research, 28(5), 355-366.en_US
dc.identifier.doi10.1080/1062936X.2017.1323796en_US
dc.identifier.endpage366en_US
dc.identifier.issn1062-936Xen_US
dc.identifier.issn1029-046Xen_US
dc.identifier.issue5en_US
dc.identifier.pmid28524703en_US
dc.identifier.scopus2-s2.0-85019597292en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage355en_US
dc.identifier.urihttps://doi.org/10.1080/1062936X.2017.1323796
dc.identifier.urihttps://hdl.handle.net/20.500.12713/922
dc.identifier.volume28en_US
dc.identifier.wosWOS:000402994100001en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorUlukaya, Enginen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Ltden_US
dc.relation.ispartofSar and Qsar In Environmental Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDithiocarbamates Of 9en_US
dc.subject10-Anthracenedioneen_US
dc.subjectAnticancer Activityen_US
dc.subjectComputer-Aided Predictionen_US
dc.subjectPassen_US
dc.subjectCell Line Cytotoxicity Predictoren_US
dc.subjectPharmaexperten_US
dc.titleComputer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9,10-anthracenedione as new anticancer agentsen_US
dc.typeArticleen_US

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