Synthesis of Eu, Sm and Dy metal-organic framework nanosheets based on pyridyl carboxylic acid and their cytotoxic mechanism in vitro

IF 4.7 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-07-05 Epub Date: 2025-02-25 DOI:10.1016/j.molstruc.2025.141853

Xin Luo , Siying Chong , Yang Li , Shuangyan Wu , Yaguang Sun , Mingchang Zhu , Ying Zhang , Chiyu Sun

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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.

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吡啶羧酸基铕、钐、镝金属有机骨架纳米片的合成及其体外细胞毒性机制

合理设计具有可调超薄结构的mn - mof纳米片在肿瘤治疗中具有广阔的应用前景。采用水热法制备了一系列Ln- dpia1 - 3 (Ln = Eu, Sm, Dy) MOF NSs。采用SC-XRD、PXRD、NMR、HRMS、FT-IR、TG、EA等手段对Ln-DPIA1-3 MOF NSs进行了表征，并通过SEM、TEM、EDS等手段对配合物的形貌和元素分布进行了表征。采用MTT法、流式细胞术和荧光成像技术研究Ln-DPIA1-3 MOF NSs对BxPC-3细胞的恶性生物学行为。Ln-DPIA1-3 MOF NSs对BxPC-3细胞具有中等的细胞毒性，对Eu-DPIA的IC50值为10.08 μg/mL。通过竞争结合实验、DNA结合亲和力测定、DNA裂解和分子对接分析，探讨了复合物的细胞毒性机制。此外，还模拟了Ln-DPIA1-3 MOF NSs的ADME参数。结果，这些复合物代替EtBr插入DNA，加强了DNA的切割。此外，在Ln-DPIA1-3 MOF NSs中，Eu-DPIA的DNA结合常数最高，并且Eu-DPIA通过多个氢键与靶DNA相互作用。

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麦克林

MeOH

麦克林

Sm(NO3)3·6H2O

麦克林

Eu(NO3)3·6H2O

来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

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.