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一种新型镉(II)配合物:荧光性能、布地奈德-水凝胶对小儿哮喘的负载及分子对接

A new Cd(II) Complex: Fluorescence Performances, Loading with Budesonide-hydrogels on Pediatric Asthma and Molecular Docking.

作者信息

Luo Lu, Gong Siming, Lei Lin, Yu Xin, Zhong Shimin

机构信息

Department of Paediatrics, The Seventh People's Hospital of Chongqing, Chongqing, China.

Institute of Cardiovascular Diseases of PLA, T Second Affiliated Hospital, Army Medical University (Third Military Medical University), Chongqing, China.

出版信息

J Fluoresc. 2025 Mar;35(3):1565-1572. doi: 10.1007/s10895-024-03621-z. Epub 2024 Feb 26.

Abstract

By applying the phosphonic acid ligand to the solvothermal reaction of nitrobenzylphosphonic acid (HL) with Cd(NO)·4HO in a mixed solvent of water and DMF, a novel Cd(II)-based coordination polymer, {Cd(L)(HO)}n (1), was successfully synthesized in this study. The excellent fluorescence performance of complex 1 was confirmed through fluorescence spectroscopy testing, and the obtained CIE standard coordinates (0.1599, 0.0786) positioned it in the blue fluorescence region. Transparent hyaluronic acid/carboxymethyl chitosan hydrogels were prepared using chemical synthesis, and their internal microstructure was observed. Using budesonide as a drug model, a new budesonide metal gel was prepared, and its therapeutic efficacy in treating pediatric asthma was evaluated. Molecular docking simulations indicated that the Cd complex formed three hydrogen bonding interactions with the target protein through its nitro group, revealing the potential origin of its biological activity.

摘要

通过将膦酸配体应用于硝基苄基膦酸(HL)与Cd(NO)·4HO在水和DMF混合溶剂中的溶剂热反应,本研究成功合成了一种新型的基于Cd(II)的配位聚合物{Cd(L)(HO)}n(1)。通过荧光光谱测试证实了配合物1具有优异的荧光性能,获得的CIE标准坐标(0.1599,0.0786)表明其位于蓝色荧光区域。采用化学合成法制备了透明的透明质酸/羧甲基壳聚糖水凝胶,并观察了其内部微观结构。以布地奈德为药物模型,制备了一种新型布地奈德金属凝胶,并评估了其治疗小儿哮喘的疗效。分子对接模拟表明,Cd配合物通过其硝基与靶蛋白形成了三种氢键相互作用,揭示了其生物活性的潜在来源。

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