Department of Analytical and Physical Chemistry, Faculty of Chemistry, University of Bucharest, 4-12 Regina Elisabeta Av., District 3, 030018 Bucharest, Romania.
Department of Inorganic and Organic Chemistry, Biochemistry and Catalysis, Faculty of Chemistry, University of Bucharest, 90-92 Panduri Str., District 5, 050663 Bucharest, Romania.
Int J Mol Sci. 2023 Jan 31;24(3):2688. doi: 10.3390/ijms24032688.
To improve their biological activity, complexes Cu(bipy)(dmtp)(OH)·dmtp () and Cu(phen)(dmtp)(OH)·dmtp () (bipy 2,2'-bipyridine, phen: 1,10-phenantroline, and dmtp: 5,7-dimethyl-1,2,4-triazolo [1,5-a]pyrimidine) were included in β-cyclodextrins (β-CD). During the inclusion, the co-crystalized dmtp molecule was lost, and UV-Vis spectra together with the docking studies indicated the synthesis of new materials with 1:1 and 1:2 molar ratios between complexes and β-CD. The association between Cu(II) compounds and β-CD has been proven by the identification of the components' patterns in the IR spectra and powder XRD diffractograms, while solid-state UV-Vis and EPR spectra analysis highlighted a slight modification of the square-pyramidal stereochemistry around Cu(II) in comparison with precursors. The inclusion species are stable in solution and exhibit the ability to scavenge or trap ROS species (O· and HO·) as indicated by the EPR experiments. Moreover, the two inclusion species exhibit anti-proliferative activity against murine melanoma B16 cells, which has been more significant for ()@β-CD in comparison with (). This behavior is associated with a cell cycle arrest in the G0/G1 phase. Compared with precursors, ()@β-CD and ()@β-CD exhibit 17 and 26 times more intense activity against planktonic , respectively, while ()@β-CD is 3 times more active against the strain.
为了提高其生物活性，将配合物Cu(bipy)(dmtp)(OH)·dmtp()和Cu(phen)(dmtp)(OH)·dmtp()（bipy=2,2'-联吡啶，phen=1,10-邻菲啰啉，dmtp=5,7-二甲基-1,2,4-三唑并[1,5-a]嘧啶）包合到β-环糊精（β-CD）中。在包合过程中，共结晶的 dmtp 分子丢失，紫外可见光谱和对接研究表明，以 1:1 和 1:2 的摩尔比合成了新的配合物与β-CD 的材料。通过鉴定红外光谱和粉末 XRD 衍射图中各组分的图谱，证明了 Cu(II)化合物与β-CD 的结合，而固态紫外可见和 EPR 光谱分析则表明与前体相比，Cu(II)周围的四方锥立体化学结构略有修饰。包合物种在溶液中稳定，并具有清除或捕获 ROS 物种（O·和 HO·）的能力，这一点通过 EPR 实验得到了证实。此外，两种包合物种对鼠黑色素瘤 B16 细胞表现出抗增殖活性，与（）相比，（）@β-CD 的活性更为显著。这种行为与细胞周期在 G0/G1 期的停滞有关。与前体相比，（）@β-CD 和（）@β-CD 对浮游生物的活性分别提高了 17 倍和 26 倍，而（）@β-CD 对 菌株的活性提高了 3 倍。
