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Title: | Virtual Screening and its Experimental Validation Reveal Novel Compounds with Promising Anticancer Activity Among 4-Thiazolidinone- Pyrazoline- and Isatin-Based Conjugates |
Authors: | Девіняк, Олег Теодозійович Гаврилюк, Дмитро Ярославович Авдєєв, Станіслав Сергійович Чумак, Віра Василівна Панчук, Ростислав Русланович Стойка, Ростислав Степанович Кавсан, Вадим Мусійович Лесик, Роман Богданович |
Keywords: | 4-thiazolidinones, Anticancer activity, Pharmacophore, Virtual screening |
Issue Date: | 2014 |
Publisher: | Austin Journal of Bioorganic & Organic Chemistry |
Citation: | Virtual Screening and its Experimental Validation Reveal Novel Compounds with Promising Anticancer Activity Among 4-Thiazolidinone- Pyrazoline- and Isatin-Based Conjugates / OT Devinyak, DYa Havrylyuk, SS Avdieiev, VV Chumak, RR Panchuk, RS Stoika, VM Kavsan, RB Lesyk // Austin Journal of Bioorganic & Organic Chemistry. - 2014. - 1(1). - P. 1-6. |
Series/Report no.: | 1(1);P. 1-6. |
Abstract: | In silico screening of virtual 4-thiazolidinones library has been carried out with several self-developed QSAR and pharmacophore models of anticancer activity. Such approach has allowed us to choose 14 the most probable anticancer hits - conjugates of 4-thiazolidinone, pyrazoline and isatin, which in turn have been synthesized. Half of these compounds were subjected to anticancer activity evaluation and biological experiments confirmed our predictions, although in a qualitative manner. The most sensitive to tested compounds cancer cell line is Mino (the lowest IC50 reached 0.17 μM), which represents mantle cell lymphoma – a rare but very aggressive tumor. That identifies the further direction of biological studies of the novel anticancer hit compounds. |
Type: | Text |
Publication type: | Стаття |
URI: | https://dspace.uzhnu.edu.ua/jspui/handle/lib/3888 |
Appears in Collections: | Наукові публікації кафедри фармацевтичних дисциплін |
Files in This Item:
File | Description | Size | Format | |
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virtual screening-ajboc.pdf | 2.62 MB | Adobe PDF | View/Open |
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