体外抗癌和抗菌活性的钇(III)配合物及其纳米载体对 DNA 的切割作用及与 DNA 和 BSA 的生物相互作用; 实验和计算研究。
In vitro anticancer and antibacterial activates of the yttrium(III) complex and its nano-carriers toward DNA cleavage and biological interactions with DNA and BSA; An experimental and computational studie.
机构信息
Nano Bioeletrochemistry Research Center, Bam University of Medical Sciences, Bam, Iran.
Department of Chemistry, University of Isfahan, Isfahan, Iran.
出版信息
J Trace Elem Med Biol. 2021 Dec;68:126821. doi: 10.1016/j.jtemb.2021.126821. Epub 2021 Jul 16.
OBJECTIVES
In this research, the biological properties of the yttrium (III) (Y) complex, with 2,9-dimethyl- 1,10-phenanthroline (MePhen) ligand, were examined for in vitro fish DNA (FS-DNA)/ bovine serum albumin (BSA) interactions, DNA-cleavage, anticancer and antibacterial activities.
METHODS
Multi-spectrophotometric techniques and computational calculations were used for the interaction studies of the BSA and FS-DNA with the Y-complex. Absorption and fluorescence spectroscopy methods were used to define thermodynamic parameters, the binding constants (K), and the probable binding mechanism. Also, the DFT (density functional theory) study and molecular docking calculation of the Y-complex were done. Besides, the nanocarriers of Y-complex (lipid nanoencapsulation (LNEP) and the starch nanoencapsulation (SNEP)), as active anticancer candidates, were prepared. Finally, DNA-cleavage, anticancer, and antibacterial activities of this complex were investigated.
RESULTS
The absorption and fluorescence measurements were exhibited that the Y-complex has a high binding affinity to FS-DNA and BSA through a static mechanism. The negative thermodynamic parameter values for both DNA/BSA binding were confirmed that the hydrogen bonds and van der Waals forces played an essential role in the spontaneous bonding procedure. The site marker competitive studies for BSA confirmed that the Y-complex bonds to the sub-domain IB of protein (site III) on BSA, which was entirely agreement by docking calculation. The complex has displayed efficient DNA cleavage, antifungal and antibacterial activities. The anticancer activity of the Y-complex and its starch/lipid nano-encapsulated was carried out in cancer cell lines, which exposed considerably high activity.
CONCLUSIONS
Thus, Y-complex can be transported professionally through BSA in the blood and bonds in the groove of DNA. Base on biological applications of the Y-complex, it can be concluded that this complex and its nanocarriers can suggest as novel anticancer and antibacterial candidates.
目的
在这项研究中，研究了钇（III）（Y）配合物与 2,9-二甲基-1,10-邻菲啰啉（MePhen）配体的生物学性质，以研究其体外鱼 DNA（FS-DNA）/牛血清白蛋白（BSA）相互作用、DNA 切割、抗癌和抗菌活性。
方法
使用多光谱技术和计算计算方法研究了 BSA 和 FS-DNA 与 Y 配合物的相互作用。使用吸收和荧光光谱法确定热力学参数、结合常数（K）和可能的结合机制。此外，还进行了 Y 配合物的 DFT（密度泛函理论）研究和分子对接计算。此外，作为活性抗癌候选物，制备了 Y 配合物的纳米载体（脂质纳米包封（LNEPs）和淀粉纳米包封（SNEPs））。最后，研究了该配合物的 DNA 切割、抗癌和抗菌活性。
结果
吸收和荧光测量表明，Y 配合物通过静态机制与 FS-DNA 和 BSA 具有高结合亲和力。DNA/BSA 结合的负热力学参数值证实氢键和范德华力在自发结合过程中起着重要作用。BSA 的位点标记竞争研究证实，Y 配合物与 BSA 上的亚域 IB（位点 III）结合，这与对接计算完全一致。该配合物具有高效的 DNA 切割、抗真菌和抗菌活性。在癌细胞系中进行了 Y 配合物及其淀粉/脂质纳米包封的抗癌活性研究，结果显示出相当高的活性。
结论
因此，Y 配合物可以通过血液中的 BSA 专业运输，并与 DNA 的沟槽结合。基于 Y 配合物的生物学应用，可以得出结论，该配合物及其纳米载体可以作为新型抗癌和抗菌候选物。
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