Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1256, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2022.132480
Keywords
Ortho-vanillin; Furfurylamine; Heptanuclear copper(II) complex; superoxide dismutase; molecular docking
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Funding
- Brazilian Research Council: CNPq [28/2018, 424514/2018-4, 12/2016, 303011/2016-5, 409150/2018-5, 304711/2018-7]
- Brazilian Research Council: FAPERGS [02/2017]
- Brazilian Research Council: CAPESPROEX [001]
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This study describes the synthesis, crystal structure, antioxidant activity, and molecular modeling calculations for two Cu-II complexes obtained from the condensation of ortho-vanillin with furfurylamine. Both complexes catalyzed superoxide dismutation and were evaluated and quantified by nitro blue tetrazolium photoreduction. Despite the unusual arrangement of the heptamer, it did not show the expected multiplicative activity.
This study describes the synthesis, crystal structure, antioxidant activity, and molecular modeling calculations for two Cu-II complexes obtained from the condensation of ortho-vanillin with furfurylamine. Both complexes catalyzed superoxide dismutation and were evaluated and quantified by nitro blue tetrazolium photoreduction, efficiently demonstrating McCord-Fridovich constant values from 5.50 to 2.87 x 10(6) (M(-1)s(-1)) in the 1.3-1.4 mu M range and an aqueous solution of pH 7.8. Despite an unusual arrangement containing seven Cu-II cations obtained by self-association processes, the heptamer, proportionally speaking, did not show multiplicative activity as initially expected. This situation was also evaluated using molecular docking. (c) 2022 Elsevier B.V. All rights reserved.
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