Data from: Ruthenium(II) complexes of curcumin and β-diketone derivatives: Effect of structural modifications on their cytotoxicity
Data files
Feb 11, 2026 version files 5.81 MB
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CIF_Ru1.cif
3.55 MB
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CIF_Ru2.cif
2.26 MB
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README.md
2.08 KB
Abstract
Ruthenium(II) complexes (Ru1 - Ru3) with the general formula [Ru(O-O)(PPh3)2(bipy)]PF6, bearing two triphenylphosphine (PPh3), bipyridine (bipy), and a series of natural and synthetic β-diketones (O,O) ligands where synthesized and characterized using various analytical techniques. The interaction between the complexes and calf thymus DNA (CT-DNA) was investigated, and demonstrated a weak interaction. The cytotoxicity of the complexes was investigated against breast cancer cells (MDA-MB-231 and MCF-7), lung cancer cells (A549), cisplatin-resistant ovarian cancer cells (A2780cis), as well as non-tumor lung (MRC-5) and non-tumor breast (MCF-10A) cell lines. All complexes exhibited cytotoxic activity against all the cell lines studied, with IC50 values ranging from 0.39 to 13 µM. Notably, the three complexes demonstrated selectivity against the A2780cis cell line, with IC50 ranging from 0.39 to 0.82 µM. Among them, Ru2 exhibited the highest cytotoxicity, with an IC50 value of 0.39 µM. Consequently, this new class of complexes shows good selectivity towards cisplatin-resistant ovarian cancer cells, and it is promising for further investigation as anticancer agents.
Dataset DOI: 10.5061/dryad.cvdncjtbn
Description of the data and file structure
Files are stored in Crystallography Information File (.CIF) format.
Files and variables
CheckCIF/PLATON reports and other supplementary materials can be found on Zenodo under the Supplemental information link.
File: CIF_Ru2.cif
Description: Crystal structure of the complex [Ru(dbm)(PPh3)2(bipy)]PF~6 ~(Ru2).
File: CIF_Ru1.cif
Description: Crystal structure of the complex [Ru(aca)(PPh3)2(bipy)]PF~6 ~(Ru1).
Code/software
All data are provided in Crystallographic Information File (.CIF) format, which can be read using free and open-source crystallographic software. The .CIF files can be viewed and validated using Mercury (CCDC, version 2023.x or later; free for academic use). Structure validation can be performed free with checkCIF. Structure solution and refinement were carried out using SHELXT for structure solution and SHELXL (version 2018/3 or later) for refinement, as implemented within Olex2. No proprietary software is required to open, view, or assess the CIF files. The CIF files contain all necessary crystallographic parameters, refinement details, and metadata for independent inspection and reuse. No custom code or scripts are included with this submission. The workflow consists of direct loading of the CIF files into the software listed above for visualization, validation, and analysis.
Access information
Other publicly accessible locations of the data:
- The copies of the data can be obtained free of charge via https://www.ccdc.cam.ac.uk/structures/; CCDC 2335556 for Ru1 and CCDC 2335557 for Ru2.
Data was derived from the following sources:
- R Soc Open Sci. (2024) 11 (7): 240353 - https://doi.org/10.1098/rsos.240353
- Jacinto, Flávia E.; de Oliveira, Letícia Pires; Batista, Alzir A. et al. (2024). Ruthenium(II) complexes of curcumin and β-diketone derivatives: effect of structural modifications on their cytotoxicity. Royal Society Open Science. https://doi.org/10.1098/rsos.240353