Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
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Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies
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| Автор |
Mochulskaya, N. N.
Kotovskaya, S. K. Butorin, I. I. Varaksin, M. V. Charushin, V. N. Rusinov, V. L. Esaulkova, Y. L. Slita, A. V. Ilyina, P. A. Zarubaev, V. V. |
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| Тематика |
1,3-DIPOLAR CYCLOADDITION
2,4-DISUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINES 3,5-DISUBSTITUTED 1,2,4-TRIAZINES INFLUENZA MOLECULAR DOCKING |
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| Описание |
A series of 2,4-disubstituted pyrrolo[2,1-f][1,2,4]triazines containing both aryl and thienyl substituents were synthesized by exploiting the 1,3-cycloaddition reaction of N(1)-ethyl-1,2,4-triazinium tetrafluoroborates with dimethyl acetylenedicarboxylate. The antiviral activity of the synthesized compounds against influenza virus strain A/Puerto Rico/8/34 (H1N1) was studied in experiments on Madin-Darby canine kidney (MDCK) cell culture. Among the pyrrolo[2,1-f][1,2,4]triazine derivatives, compounds with low toxicity and high antiviral activity were identified. Dimethyl 4-(4-methoxyphenyl)-7-methyl-2-p-tolylpyrrolo[2,1-f][1,2,4]triazine-5,6-dicarboxylate was found to demonstrate the best antiviral activity (IC50 4 µg/mL and selectivity index 188). Based on the results of in vitro tests and molecular docking studies performed, a plausible mechanism of action for these compounds was suggested to involve inhibition of neuraminidase. © 2023 by the authors.
Ministry of Education and Science of the Russian Federation, Minobrnauka: 075-15-2020-777 This research was supported by the Ministry of Science and Higher Education of the Russian Federation: Agreement on granting grants from the federal budget in the form of subsidies in accordance with paragraph 4 of Article 78.1 of the Budget Code of the Russian Federation (Moscow, October 1, 2020, No. 075-15-2020-777). |
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| Дата |
2024-04-05T16:38:38Z
2024-04-05T16:38:38Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/publishedVersion |
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| Идентификатор |
Mochulskaya, NN, Kotovskaya, SK, Butorin, II, Varaksin, MV, Charushin, VN, Rusinov, VL, Esaulkova, YL, Slita, AV, Ilyina, PA & Zarubaev, VV 2023, 'Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies', Chemistry (Switzerland), Том. 5, № 4, стр. 2657-2676. https://doi.org/10.3390/chemistry5040171
Mochulskaya, N. N., Kotovskaya, S. K., Butorin, I. I., Varaksin, M. V., Charushin, V. N., Rusinov, V. L., Esaulkova, Y. L., Slita, A. V., Ilyina, P. A., & Zarubaev, V. V. (2023). Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies. Chemistry (Switzerland), 5(4), 2657-2676. https://doi.org/10.3390/chemistry5040171 2624-8549 Final All Open Access, Gold https://www.scopus.com/inward/record.uri?eid=2-s2.0-85180690688&doi=10.3390%2fchemistry5040171&partnerID=40&md5=bacc7ac442d9ad3847fae264bb3982a1 https://www.mdpi.com/2624-8549/5/4/171/pdf?version=1700580086 http://elar.urfu.ru/handle/10995/131082 10.3390/chemistry5040171 85180690688 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by https://creativecommons.org/licenses/by/4.0/ |
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| Формат |
application/pdf
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| Издатель |
Multidisciplinary Digital Publishing Institute (MDPI)
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| Источник |
Chemistry
Chemistry (Switzerland) |
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