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Growing Science » Current Chemistry Letters » Antioxidant activity, DFT-calculation, and docking of 5-amino-N-(3-di(per)fluoroalkyl-2-iodo-n-propyl)-1,2,3-triazole-4-carboxamides

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Current Chemistry Letters
ISSN 1927-730x (Online) - ISSN 1927-7296 (Print)
Quarterly Publication
Volume 14 Issue 2 pp. 251-264, 2025

Antioxidant activity, DFT-calculation, and docking of 5-amino-N-(3-di(per)fluoroalkyl-2-iodo-n-propyl)-1,2,3-triazole-4-carboxamides Pages 251-264 PDF Download PDF

Authors: Ivanna Danyliuk, Sergiy Kemskyi, Lesya Saliyeva, Nataliia Slyvka, Dmytro Melnyk, Oksana Melnyk, Victor Dorokhov, Mykhailo Vovk

📋 Author Affiliations:
I. Danyliuk ORCID 1, S. Kemskyi1, L. Saliyeva ORCID 2, N. Slyvka ORCID 2, D. Mel’nyk3, O. Mel’nyk3, V. Dorokhov1, M. Vovk ORCID 1
1 Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Academician Kukhar Str, Kyiv, 02660, Ukraine
2 Lesya Ukrainka Volyn National University, 13 Voli Avenue, Lutsk, 43025, Ukraine
3 Ivano-Frankivsk National Medical University, 2 Halytska St, Ivano-Frankivsk, 76000, Ukraine
doi 10.5267/j.ccl.2024.12.002
Crossref 1 Source: CrossRef

🔑 Keywords: Iododi(per)fluoroalkylation, DPPH, Antioxidant activity, Docking studies

Abstract: Antioxidant activity of a series of previously described 5-amino-N-(iododi(per)fluoroalkyl)-1H-1,2,3-triazole-4-carboxamides 3a-r, their synthetic precursors 5-amino-N-allyl-1,2,3-triazole-4-carboxamides 1a-g, and their deamination products N-(3-di(per)fluoroalkyl-2-iodo-n-propyl)-1,2,3-triazole-4-carboxamides 4a-e was investigated in vitro using DPPH test and ascorbic acid as a standard reference. It was established that compounds 3a-r inhibit DPPH free radicals in moderate to high values (50.9–97.6%). The effect of substituents in the position 1 of the 1,2,3-triazole nucleus, fluoroalkyl groups and amino groups on the level of antioxidant activity was studied in detail. Reactivity and electrostatic surface potential were evaluated for the most active carboxamides 3a,g,r using the DFT method, and molecular docking was studied in the NADPH oxidase protein model.

How to cite this paper
APA: Danyliuk, I., Kemskyi, S., Saliyeva, L., Slyvka, N., Melnyk, D., Melnyk, O., Dorokhov, V & Vovk, M. (2025). Antioxidant activity, DFT-calculation, and docking of 5-amino-N-(3-di(per)fluoroalkyl-2-iodo-n-propyl)-1,2,3-triazole-4-carboxamides. Current Chemistry Letters, 14(2), 251-264.
Chicago/Turabian: Danyliuk, I., Kemskyi, S., Saliyeva, L., Slyvka, N., Melnyk, D., Melnyk, O., Dorokhov, V & Vovk, M. 2025. "Antioxidant activity, DFT-calculation, and docking of 5-amino-N-(3-di(per)fluoroalkyl-2-iodo-n-propyl)-1,2,3-triazole-4-carboxamides." Current Chemistry Letters 14, no. 2 (2025): 251-264.
AMA: Danyliuk, I., Kemskyi, S., Saliyeva, L., Slyvka, N., Melnyk, D., Melnyk, O., Dorokhov, V & Vovk, M. Antioxidant activity, DFT-calculation, and docking of 5-amino-N-(3-di(per)fluoroalkyl-2-iodo-n-propyl)-1,2,3-triazole-4-carboxamides. Current Chemistry Letters. 2025;14(2):251-264.

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