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A New Co(II)-coordination Polymer: Fluorescence Performances, Loaded with Paclitaxel-hydrogel on Breast Cancer and Molecular Docking Study
Journal of Fluorescence ( IF 2.7 ) Pub Date : 2024-03-22 , DOI: 10.1007/s10895-024-03670-4
Lijun Di , Zhihong Lv , Haiping Zhang , Hui Li

In the current context of the increasing incidence of breast cancer, we aim to develop an efficient drug carrier for breast cancer by constructing an innovative complex consisting of a metal-organic framework (MOF) and a hydrogel. The aim of this initiative is to provide new ideas and tools for breast cancer treatment strategies through scientific research, so as to address the current challenges in breast cancer treatment. In the present study, by employment of a new Co(II)-based coordination polymer with the chemical formula of [Co(H2O)(CH3OH)L]n (1) (H2L = 5-(1 H-tetrazol-5-yl)nicotinic acid) was solvothermally synthesized by reaction of Co(NO3)2·6H2O a mixed solvent of MeOH and water. The characteristics of ligand-based absorption and emission, as unveiled by ultraviolet and fluorescence spectroscopy tests, offer insights into the distinctive electronic transitions and structural features originating from the ligand in compound 1. Using natural polysaccharide hyaluronic acid (HA) and carboxymethyl chitosan (CMCS) as raw materials, HA/CMCS hydrogels were successfully prepared by chemical method and their internal morphology was studied by scanning electron microscopy. Using paclitaxel as a drug model, we further designed and synthesized a novel metal gel particle-loaded paclitaxel drug and evaluated its inhibitory effect on breast cancer cells. Finally, the hypothesized interactions between the complex and the receptor have been confirmed through molecular docking simulation, and multiple polar interactions have been verified, which further proves the potential anti-cancer capability and excellent bioactivity. Based on this, this composite material prepared from a novel Co(II)-coordinated polymer with paclitaxel hydrogel could provide a useful pathway for the identification and treatment of breast cancer.



中文翻译:

一种新型 Co(II) 配位聚合物:负载紫杉醇水凝胶对乳腺癌的荧光性能及分子对接研究

在当前乳腺癌发病率不断上升的背景下,我们的目标是通过构建由金属有机框架(MOF)和水凝胶组成的创新复合物,开发一种有效的乳腺癌药物载体。该倡议的目的是通过科学研究为乳腺癌治疗策略提供新的思路和工具,以应对当前乳腺癌治疗的挑战。在本研究中,采用了一种新型Co(II)基配位聚合物,其化学式为[Co(H 2 O)(CH 3 OH)L] n ( 1 ) (H 2 L = 5-(1以MeOH和水的混合溶剂Co(NO 3 ) 2 ·6H 2 O为溶剂热合成H-四唑-5-基)烟酸。紫外和荧光光谱测试揭示了基于配体的吸收和发射的特征,为了解源自化合物1中配体的独特电子跃迁和结构特征提供了见解。以天然多糖透明质酸(HA)和羧甲基壳聚糖(CMCS)为原料,采用化学方法成功制备了HA/CMCS水凝胶,并通过扫描电镜研究了其内部形貌。以紫杉醇为药物模型,进一步设计合成了一种新型金属凝胶颗粒负载紫杉醇药物,并评价了其对乳腺癌细胞的抑制作用。最后,通过分子对接模拟证实了复合物与受体之间假设的相互作用,并验证了多重极性相互作用,进一步证明了其潜在的抗癌能力和优异的生物活性。基于此,这种由新型Co(II)配位聚合物与紫杉醇水凝胶制备的复合材料可以为乳腺癌的识别和治疗提供有用的途径。

更新日期:2024-03-23
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