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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/LM2023051" target="_blank" >LM2023051: Výzkumná infrastruktura CzechNanoLab</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Photochemistry and Photobiology A-Chemistry

ISSN

1010-6030

e-ISSN

1873-2666

Svazek periodika

443

Číslo periodika v rámci svazku

Sept.

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

15

Strana od-do

114830

Kód UT WoS článku

001053228100001

EID výsledku v databázi Scopus

2-s2.0-85159643549