A new zinc(II) complex of 2-benzoimidazoledisulfide ligand: synthesis, X-ray crystallographic structure, investigation of CT-DNA and BSA interaction by spectroscopic techniques and molecular docking

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00572971" target="_blank" >RIV/68378271:_____/23:00572971 - isvavai.cz</a>
Result on the web
<a href="http://doi.org/10.1016/j.jphotochem.2023.114830" target="_blank" >http://doi.org/10.1016/j.jphotochem.2023.114830</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jphotochem.2023.114830" target="_blank" >10.1016/j.jphotochem.2023.114830</a>

Result language
angličtina
Original language name
A new zinc(II) complex of 2-benzoimidazoledisulfide ligand: synthesis, X-ray crystallographic structure, investigation of CT-DNA and BSA interaction by spectroscopic techniques and molecular docking
Original language description
This study reports a new zinc(II) complex based on 2-mercaptobenzimidazole ligand. It was synthesized and characterized by UV–visible and Fourier transform infrared spectroscopy. Analysis by X-ray diffraction crystallography showed that 2-benzoimidazoledisulfide coordinates to Zn(II) centre as a bidentate ligand via two azomethine nitrogen atoms and forms a seven-member ring. Cytotoxicity activity of this complex and the metalbased anticancer drug (carboplatin) against two human cancer cell lines, i.e. MCF-7 (breast) and HCT-116 (colon), was studied. Comparative activity of the compound against both cell lines was observed. DFT calculation of Zn(II) complex was performed to obtain the minimized structure. After that, molecular docking of the optimized structure with BSA and DNA was accomplished to get an insight about their interaction forces.n
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/LM2023051" target="_blank" >LM2023051: Research infrastructure CzechNanoLab</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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