Xin Luo , Siying Chong , Yang Li , Shuangyan Wu , Yaguang Sun , Mingchang Zhu , Ying Zhang , Chiyu Sun
{"title":"Synthesis of Eu, Sm and Dy metal-organic framework nanosheets based on pyridyl carboxylic acid and their cytotoxic mechanism in vitro","authors":"Xin Luo , Siying Chong , Yang Li , Shuangyan Wu , Yaguang Sun , Mingchang Zhu , Ying Zhang , Chiyu Sun","doi":"10.1016/j.molstruc.2025.141853","DOIUrl":null,"url":null,"abstract":"<div><div>The rational design of Ln-MOF nanosheets (NSs) with tunable and ultrathin structure is promising in tumor therapy. A series of Ln-DPIA1–3 (Ln = Eu, Sm and Dy) MOF NSs were prepared by the hydrothermal method. Ln-DPIA1–3 MOF NSs were characterized by SC-XRD, PXRD, NMR, HRMS and FT-IR spectra, TG and EA. The morphology and element distribution of complexes was observed by SEM, TEM and EDS. The malignant biological behavior of Ln-DPIA1–3 MOF NSs against BxPC-3 cells was studied by MTT assay, flow cytometry and fluorescence imaging. Ln-DPIA1–3 MOF NSs exhibited moderate cytotoxicity against BxPC-3 cells, especially for Eu-DPIA with IC<sub>50</sub> value of 10.08 μg/mL. Cytotoxic mechanism of the complexes was investigated through competitive binding assay, DNA binding affinity determination, DNA cleavage and molecular docking analysis. In addition, ADME parameter for Ln-DPIA1–3 MOF NSs were simulated. As a result, the complexes inserted to DNA instead of EtBr and strengthened DNA cleavage. Moreover, the DNA binding constant for Eu-DPIA was highest among Ln-DPIA1–3 MOF NSs, and Eu-DPIA interacted with target DNA through multiple hydrogen bonds.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1334 ","pages":"Article 141853"},"PeriodicalIF":4.0000,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286025005393","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The rational design of Ln-MOF nanosheets (NSs) with tunable and ultrathin structure is promising in tumor therapy. A series of Ln-DPIA1–3 (Ln = Eu, Sm and Dy) MOF NSs were prepared by the hydrothermal method. Ln-DPIA1–3 MOF NSs were characterized by SC-XRD, PXRD, NMR, HRMS and FT-IR spectra, TG and EA. The morphology and element distribution of complexes was observed by SEM, TEM and EDS. The malignant biological behavior of Ln-DPIA1–3 MOF NSs against BxPC-3 cells was studied by MTT assay, flow cytometry and fluorescence imaging. Ln-DPIA1–3 MOF NSs exhibited moderate cytotoxicity against BxPC-3 cells, especially for Eu-DPIA with IC50 value of 10.08 μg/mL. Cytotoxic mechanism of the complexes was investigated through competitive binding assay, DNA binding affinity determination, DNA cleavage and molecular docking analysis. In addition, ADME parameter for Ln-DPIA1–3 MOF NSs were simulated. As a result, the complexes inserted to DNA instead of EtBr and strengthened DNA cleavage. Moreover, the DNA binding constant for Eu-DPIA was highest among Ln-DPIA1–3 MOF NSs, and Eu-DPIA interacted with target DNA through multiple hydrogen bonds.
期刊介绍:
The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including:
• Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.)
• Chemical intermediates
• Molecules in excited states
• Biological molecules
• Polymers.
The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example:
• Infrared spectroscopy (mid, far, near)
• Raman spectroscopy and non-linear Raman methods (CARS, etc.)
• Electronic absorption spectroscopy
• Optical rotatory dispersion and circular dichroism
• Fluorescence and phosphorescence techniques
• Electron spectroscopies (PES, XPS), EXAFS, etc.
• Microwave spectroscopy
• Electron diffraction
• NMR and ESR spectroscopies
• Mössbauer spectroscopy
• X-ray crystallography
• Charge Density Analyses
• Computational Studies (supplementing experimental methods)
We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.