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http://elar.urfu.ru/handle/10995/120165
Название: | Substituted benzocoumarin derivatives: synthesis, characterization, biological activities and molecular docking with ADME studies |
Авторы: | Megha G. V. Bodke, Yadav D. Shanavaz, H. Muthipeedika, Nibin Joy |
Дата публикации: | 2022-12 |
Издатель: | Ural Federal University Уральский федеральный университет |
Библиографическое описание: | Substituted benzocoumarin derivatives: synthesis, characterization, biological activities and molecular docking with ADME studies / G. V. Megha, D. Bodke Yadav, H. Shanavaz, Nibin Joy Muthipeedika // Chimica Techno Acta. — 2022. — Vol. 9, No. 4. — № 20229419. |
Аннотация: | Herein, we report an efficient and convenient method for the synthesis of 4-(substitutedphenyl)-1,2-dihydro-2-oxo-6-(2-oxo-2Hbenzo[g]chromen-3-yl)pyridine-3-carbonitrile derivatives using ammonium acetate as a catalyst. The structures of the synthesized compounds were confirmed using FT-IR, 1H, 13C-NMR and LC-MS spectroscopic techniques. The synthesized compounds were evaluated for antibacterial activity against bacterial strains by disc diffusion method at different concentrations. Further, all the targeted compounds were screened for anti-oxidant and anti-cancer studies by DPPH and MTT assay methods respectively at different concentrations. Compound 4b displayed good antioxidant and anticancer (against MCF-7 cell line) activity. The binding capability for the synthesized compounds (4a–j) was analyzed by molecular docking studies using human peroxiredoxin 5 (PDB ID: 1HD2) and P38 MAP kinase (PDB ID: 1OUK) protein. The physicochemical properties were analyzed using absorption, distribution, metabolism and excretion (ADME) studies. |
Ключевые слова: | BENZO-COUMARIN ANTI-BACTERIAL ANTI-CANCER ANTI-OXIDANT MOLECULAR DOCKING |
URI: | http://elar.urfu.ru/handle/10995/120165 |
Идентификатор РИНЦ: | https://www.elibrary.ru/item.asp?id=50082617 |
ISSN: | 2411-1414 |
DOI: | 10.15826/chimtech.2022.9.4.19 |
Источники: | Chimica Techno Acta. 2022. Vol. 9. № 4 |
Располагается в коллекциях: | Chimica Techno Acta |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
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cta-2022-4-20.pdf | 823 kB | Adobe PDF | Просмотреть/Открыть |
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