Computer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9,10-anthracenedione as new anticancer agents
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Dosyalar
Tarih
2017
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor & Francis Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Anticancer 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.
Açıklama
Anahtar Kelimeler
Dithiocarbamates Of 9, 10-Anthracenedione, Anticancer Activity, Computer-Aided Prediction, Pass, Cell Line Cytotoxicity Predictor, Pharmaexpert
Kaynak
Sar and Qsar In Environmental Research
WoS Q Değeri
Q1
Scopus Q Değeri
Q3
Cilt
28
Sayı
5
Künye
Stasevych, 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.
