Registration Number
2114U008822, Article
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Текст
Title
Virtual Screening and its Experimental Validation Reveal Novel Compounds with Promising Anticancer Activity Among 4-Thiazolidinone- Pyrazoline- and Isatin-Based Conjugates (AI translated)
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Девіняк Олег Теодозійович
Гаврилюк Дмитро Ярославович
Авдєєв Станіслав Сергійович
Чумак Віра Василівна
Панчук Ростислав Русланович
Стойка Ростислав Степанович
Кавсан Вадим Мусійович
Лесик Роман Богданович
Devinyak Oleh Teodoziiovych
Havryliuk Dmytro Yaroslavovych
Avdieiev Stanislav Serhiiovych
Chumak Vira Vasylivna
Panchuk Rostyslav Ruslanovych
Stoika Rostyslav Stepanovych
Kavsan Vadym Musiiovych
Lesyk Roman Bohdanovych
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01-01-2014
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Ужгородський національний університет
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https://dspace.uzhnu.edu.ua/jspui/handle/lib/3888
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Austin Journal of Bioorganic & Organic Chemistry
Description
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.
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2026-06-13
