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A New Mixed-Ligand Coordination Polymer: Crystal Structure, Molecular Docking and Alleviating Effect on Myocarditis by Inhibiting the NLRP3-Caspase-1 Pathway in Cardiomyocytes

机译:一种新的混合配体配位聚合物:通过抑制心肌细胞中NLRP3-Caspase-1途径的晶体结构,分子对接和减轻对心肌炎的影响

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摘要

A new mixed-ligand coordination polymer {[Co(Hbidc)(2,2'-bpy) (H2O)2]·1.5H2O}n (1) has been successfully prepared by the reaction of Co(NO3)2·6H2O, 2, 2'-bipyridine (2,2'-bpy) as well as benzimidazole-5, 6-dicarboxylic acid (H3bidc) in the mixed solvent of water and DMA under solvothermal conditions. Furthermore, a mechanical grinding method was used to produce the nanostructure 1 with the average size of 263 nm. The integrity of H9 C2 cardiomyocytes cell membrane after nano 1 treatment was detected by LDH detection. After nano 1 incubation, the inflammatory level in the H9 C2 cardiomyocytes was evaluated by western blot and ELISA measurement. In addition, the ROS accumulation in H9 C2 cardiomyocytes after nano 1 treatment was determined by H2DCFDA detection assay. Finally, possible interactions between the studied complex 1 and protein has been probed using molecular docking simulation.
机译:通过CO(NO3)2·6H2O的反应成功制备了一种新的混合配体聚合物{[[CO(HBIDC)(HBIDC)(HBIDC)(2,2'-BPY)(H2O)2]·1.5H2O} N(1) 2,2'-二吡啶(2,2'-BPY)以及苯咪唑-5,6-二羧酸(H3BIDC)在溶剂热条件下的水和DMA混合溶剂中。 此外,使用一种机械磨削方法来生产平均大小为263 nm的纳米结构1。 通过LDH检测检测到纳米1处理后H9 C2心肌细胞膜的完整性。 纳米1孵育后,通过Western印迹和ELISA测量评估H9 C2心肌细胞中的炎症水平。 此外,通过H2DCFDA检测测定法测定了NANO 1处理后H9 C2心肌细胞中的ROS积累。 最后,使用分子对接模拟探测了研究的复合物1与蛋白质之间的可能相互作用。

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