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Ternary Cobalt(II), Nickel(II), and Copper(II) complexes containing metformin and ethylenediamine: Synthesis, characterization, thermal, in vitro DNA binding, in silico molecular docking, and in vivo antihyperglycemic studies
Applied Organometallic Chemistry ( IF 3.7 ) Pub Date : 2020-11-20 , DOI: 10.1002/aoc.6100
K. Rajeshwari 1, 2 , P.V. Anantha Lakshmi 1 , J. Archana 3 , M. Sumakanth 3
Affiliation  

Three new water soluble ternary metal complexes, [Co(metf)(en)2]Cl2(1), [Ni(metf)(en)2]Cl2(2), and [Cu(metf)(en)2]Cl2(3), (Metf = metformin, en = ethylenediamine), were synthesized and characterized, and pharmacodynamic evaluation was reported. From the spectral analysis, octahedral geometry was proposed to all the three metal complexes. The Kinetic parameters have been determined by thermogravimetric data using Coats‐Redfern method. The stability of the complexes was obtained from their molecular orbital structures from which the quantum chemical parameters were calculated using the highest occupied molecular orbital (HOMO)‐lowest unoccupied molecular orbital (LUMO) energies. The DNA binding studies of these complexes were explored by absorption, emission, and viscosity. Groove mode of surface binding of these complexes with DNA was explained by viscosity studies. Nuclease activity exhibited by these complexes on pUC19 DNA was experimented by agarose gel electrophoresis. Discovery Studio 2.1 software was used for docking studies of these complexes into B‐DNA sequence, 5′(D*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)‐3′ retrieved from protein data bank (PDB ID: 423D). The maximum score is seen for complex 1. The antihyperglycemic activity of these complexes was studied in streptozotocin (STZ)‐diabetic rats. The substantial increase in the antihyperglycemic activity of the complexes is seen when compared with pure drug. The maximum antihyperglycemic activity is recorded for complex 1.

中文翻译:

包含二甲双胍和乙二胺的三元钴(II),镍(II)和铜(II)配合物:合成,表征,热,体外DNA结合,计算机分子对接和体内抗高血糖研究

三种新型水溶性三元金属配合物[Co(metf)(en)2 ] Cl 2 (1),[Ni(metf)(en)2 ] Cl 2 (2)和[Cu(metf)(en)2 ] Cl 2 (3)(Metf =二甲双胍,en =乙二胺),经过合成和表征,并报道了药效学评价。从光谱分析中,对所有三种金属配合物都提出了八面体的几何形状。动力学参数是使用Coats-Redfern方法通过热重数据确定的。配合物的稳定性来自它们的分子轨道结构,使用最高占据分子轨道(HOMO)-最低未占据分子轨道(LUMO)的能量计算量子化学参数。通过吸收,发射和粘度来探索这些复合物的DNA结合研究。这些复合物与DNA的表面结合的凹槽模式通过粘度研究进行了解释。通过琼脂糖凝胶电泳试验了这些复合物在pUC19 DNA上显示的核酸酶活性。使用Discovery Studio 2.1软件将这些复合物对接至B-DNA序列5'(D * AP * CP * CP * GP * AP * CP * GP * TP * CP * GP * GP * T)-3'从蛋白质数据库中检索(PDB ID:423D)。最高得分是复杂的1。在链脲佐菌素(STZ)糖尿病大鼠中研究了这些复合物的降血糖活性。与纯药物相比,复合物的降血糖活性显着提高。记录了复合物1的最大降血糖活性。
更新日期:2021-01-27
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