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Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies. / Mochulskaya, Nataliya N.; Kotovskaya, Svetlana K.; Butorin, Ilya I.; Varaksin, Mikhail V.; Charushin, Valery N.; Rusinov, Vladimir L.; Esaulkova, Yana L.; Slita, Alexander V.; Ilyina, Polina A.; Zarubaev, Vladimir V.

в: Chemistry, Том 5, № 4, 21.11.2023, стр. 2657-2676.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

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, Том. 5, № 4, стр. 2657-2676. https://doi.org/10.3390/chemistry5040171

APA

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, 5(4), 2657-2676. https://doi.org/10.3390/chemistry5040171

Vancouver

Mochulskaya NN, Kotovskaya SK, Butorin II, Varaksin MV, Charushin VN, Rusinov VL и пр. Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies. Chemistry. 2023 Нояб. 21;5(4):2657-2676. https://doi.org/10.3390/chemistry5040171

Author

Mochulskaya, Nataliya N. ; Kotovskaya, Svetlana K. ; Butorin, Ilya I. ; Varaksin, Mikhail V. ; Charushin, Valery N. ; Rusinov, Vladimir L. ; Esaulkova, Yana L. ; Slita, Alexander V. ; Ilyina, Polina A. ; Zarubaev, Vladimir V. / Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies. в: Chemistry. 2023 ; Том 5, № 4. стр. 2657-2676.

BibTeX

@article{730f9e38000f4337b68241788d5f7998,
title = "Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies",
abstract = "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.",
keywords = "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",
author = "Mochulskaya, {Nataliya N.} and Kotovskaya, {Svetlana K.} and Butorin, {Ilya I.} and Varaksin, {Mikhail V.} and Charushin, {Valery N.} and Rusinov, {Vladimir L.} and Esaulkova, {Yana L.} and Slita, {Alexander V.} and Ilyina, {Polina A.} and Zarubaev, {Vladimir V.}",
year = "2023",
month = nov,
day = "21",
doi = "10.3390/chemistry5040171",
language = "English",
volume = "5",
pages = "2657--2676",
journal = "Chemistry (Switzerland)",
issn = "2624-8549",
publisher = "MDPI AG",
number = "4",

}

RIS

TY - JOUR

T1 - Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies

AU - Mochulskaya, Nataliya N.

AU - Kotovskaya, Svetlana K.

AU - Butorin, Ilya I.

AU - Varaksin, Mikhail V.

AU - Charushin, Valery N.

AU - Rusinov, Vladimir L.

AU - Esaulkova, Yana L.

AU - Slita, Alexander V.

AU - Ilyina, Polina A.

AU - Zarubaev, Vladimir V.

PY - 2023/11/21

Y1 - 2023/11/21

N2 - 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.

AB - 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.

KW - 1,3-dipolar cycloaddition

KW - 2,4-disubstituted pyrrolo[2,1-f][1,2,4]triazines

KW - 3,5-disubstituted 1,2,4-triazines

KW - influenza

KW - molecular docking

UR - https://www.mendeley.com/catalogue/504f342f-b479-322b-99c1-c0958c552d5d/

U2 - 10.3390/chemistry5040171

DO - 10.3390/chemistry5040171

M3 - Article

VL - 5

SP - 2657

EP - 2676

JO - Chemistry (Switzerland)

JF - Chemistry (Switzerland)

SN - 2624-8549

IS - 4

ER -

ID: 123930040