Journal
JOURNAL OF CLUSTER SCIENCE
Volume 33, Issue 4, Pages 1713-1720Publisher
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s10876-021-02102-8
Keywords
Coordination polymers; Deep venous thrombosis; Anti-inflammatory; Molecular docking
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Through a mixed-ligand approach, a new Cu(II)-based coordination polymer was synthesized, displaying a unique 3D framework structure with interpenetrated networks. The compound showed promising potential in reducing thrombus formation and decreasing inflammatory responses in vascular endothelial cells. Molecular docking simulation suggested potential interactions with C-reactive protein.
By using a mixed-ligand approach, a new Cu(II)-based coordination polymer, whose chemical formula is [Cu-2(DPFE)(oba)(2)](n) (1), was synthesized through the reaction of the DPFE ligand with Cu(II) salts in the presence of V-shape polycarboxylate acid H(2)oba [DPFE = 2,7-di(pyridin-4-yl)-9H-fluorene, H(2)oba = 4,4 '-oxydibenzoic acid]. The as-prepared complex 1 was fully determined via single crystal X-ray diffraction, powder X-ray diffraction, elemental analysis, Fourier transform infrared spectroscopy, and thermogravimetric analysis. Results from structural determination showed that complex 1 revealed a 3D framework structure featuring a twofold jsm interpenetrated network. The protective capability of the compound on DVT was evaluated, and the specific mechanism was discussed. The compound could reduce the weight and length of the thrombus in the inferior vena cava. However, the inflammatory response in the vascular endothelial cells was significantly declined after treatment of the compound. Results from molecular docking simulation indicated that all the polar atoms on the complex could form binding interactions to the C-reactive protein (CRP).
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