Synthesis, characterization and in vitro cytotoxicity studies of novel Cu(II) complex containing zonisamide drug: DNA interaction by multi spectroscopic and molecular docking methods.
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| Abstract |
In this study, the Cu(II) complex with Zonisamide (ZNS) and 1, 10-Phenanthroline (Phen) ligands as an anticancer metallodrug was synthesized and characterized successfully by FT-IR, mass spectrometry, TGA, XPS, AAS, CHNSO, magnetic susceptibility and electrical conductivity. The interaction of Cu(II) complex with DNA was explored through a multi-spectroscopic approach such as fluorescence, UV-vis spectrophotometry, CD spectroscopy, and viscosity measurements. Molecular docking simulation was carried out to gain a deeper insight into the target site of DNA which interacted with the mentioned complex. The competitive binding tests with Hoechst 33258 showed that [CuCl2(ZNS)(Phen)EtOH].H2O can bind to the groove site of DNA. The calculated thermodynamic parameters, ΔS° = +201.15 J mol-1K-1 and ΔH° = +41.32 kJ mol-1 confirm that the hydrophobic forces and hydrogen bonding play an essential role in the binding process. The experimental and molecular modeling results demonstrate that the Cu(II) complex binds to DNA through major groove binding. Moreover, the in vitro cytotoxic effects of [CuCl2(ZNS)(Phen)EtOH].H2O against B92 cancer cell lines showed better activity in Cu(II) complex in comparison to free ZNS. Therefore, [CuCl2(ZNS)(Phen)EtOH].H2O can open a new horizon in the treatment of glioma cancer by ZNS metallodrugs.Communicated by Ramaswamy H. Sarma.
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| Authors | Nahid Shahabadi, Mahtab Razlansari |
| Journal | Journal of biomolecular structure & dynamics (J Biomol Struct Dyn) Vol. 40 Issue 10 Pg. 4682-4696 (07 2022) ISSN: 1538-0254 [Electronic] England |
| PMID | 33331248 (Publication Type: Journal Article, Research Support, Non-U.S. Gov't) |
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