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Synergy of experimental and computational chemistry : structure and biological activity of Zn(II) hydrazone complexes
ID
Savić, Milica
(
Author
),
ID
Pevec, Andrej
(
Author
),
ID
Stevanović, Nevena Lj.
(
Author
),
ID
Novaković, Irena
(
Author
),
ID
Matić, Ivana Z.
(
Author
),
ID
Petrović, Nina
(
Author
),
ID
Stanojković, Tatjana
(
Author
),
ID
Milčić, Karla
(
Author
),
ID
Zlatar, Matija
(
Author
),
ID
Turel, Iztok
(
Author
),
ID
Čobeljić, Božidar R.
(
Author
),
ID
Milčić, Miloš
(
Author
),
ID
Gruden-Pavlović, Maja
(
Author
)
PDF - Presentation file. The content of the document unavailable until 23.07.2025.
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https://pubs.rsc.org/en/content/articlelanding/2024/dt/d4dt01353k
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Abstract
In this paper, three different Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized by single crystal X-ray diffraction, elemental analysis, IR and NMR spectroscopy. All complexes are mononuclear, with the ligand (L) coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Complex 1 forms an octahedral geometry with the composition [ZnL$_2$](BF$_4$)$_2$, while complexes 2 [ZnL(NCO)$_2$] and 3 [ZnL(N$_3$)$_2$] form penta-coordinated geometry. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the synthesized complexes and the cytotoxic activity of the complexes was tested against five human cancer cell lines (HeLa, A549, MDA-MB-231, K562, LS 174T) and normal human fibroblasts MRC-5. Additionally, antibacterial and antifungal activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. It is noteworthy that all three complexes show selective antifungal activity comparable to that of amphotericin B. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis, is the most likely target for inhibition by the tested complexes.
Language:
English
Keywords:
zinc
,
zinc(II) complexes
,
hydrazone
Work type:
Article
Typology:
1.01 - Original Scientific Article
Organization:
FKKT - Faculty of Chemistry and Chemical Technology
Year:
2024
Number of pages:
Str. 13436-13453
Numbering:
Vol. 53, iss. 32
PID:
20.500.12556/RUL-161554
UDC:
546.47
ISSN on article:
1477-9234
DOI:
10.1039/D4DT01353K
COBISS.SI-ID:
205685763
Publication date in RUL:
12.09.2024
Views:
16
Downloads:
1
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Record is a part of a journal
Title:
Dalton transactions
Shortened title:
Dalton trans
Publisher:
Royal Society of Chemistry
ISSN:
1477-9234
COBISS.SI-ID:
519833113
Licences
License:
CC BY-NC-ND 4.0, Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
Link:
http://creativecommons.org/licenses/by-nc-nd/4.0/
Description:
The most restrictive Creative Commons license. This only allows people to download and share the work for no commercial gain and for no other purposes.
Secondary language
Language:
Slovenian
Keywords:
cink
,
cinkovi(II) kompleksi
,
hidrazon
Projects
Funder:
Other - Other funder or multiple funders
Project number:
7750288
Name:
Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes – TMMagCat
Funder:
MESTD - Ministry of Education, Science and Technological Development of Republic of Serbia
Project number:
451-03-66/2024-03/200026
Funder:
MESTD - Ministry of Education, Science and Technological Development of Republic of Serbia
Project number:
451-03-66/2024-03/200043
Funder:
MESTD - Ministry of Education, Science and Technological Development of Republic of Serbia
Project number:
451-03-66/2024-03/200168
Funder:
MESTD - Ministry of Education, Science and Technological Development of Republic of Serbia
Project number:
451-03-66/2024-03/200288
Funder:
ARIS - Slovenian Research and Innovation Agency
Project number:
P1-0175
Name:
Napredna anorganska kemija
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