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Bioactivity and molecular docking studies of some nickel complexes: New analogues for the treatment of Alzheimer, glaucoma and epileptic diseases.
Bioorganic Chemistry ( IF 4.5 ) Pub Date : 2020-06-30 , DOI: 10.1016/j.bioorg.2020.104066
Dursun Kısa 1 , Nesrin Korkmaz 2 , Parham Taslimi 2 , Burak Tuzun 3 , Şaban Tekin 4 , Ahmet Karadag 5 , Fatih Şen 6
Affiliation  

The interaction of the coordination compounds with biological molecules resulted in the investigation of the drug potential of these molecules. In this study, enzyme inhibition of DSA (1–3) coordination compounds that were previously investigated for their anticancer and antibacterial properties was investigated. Also, DSA (13) had Ki values of 635.30 + 152.62, 184.01 + 90.05, and 163.03 ± 60.01 µM against human carbonic anhydrase I, 352.23 ± 143.09, 46.2 ± 15.47, and 54.117 ± 18.80 µM against AChE, 310.64 ± 97.35, 35.54 ± 7.01, and 101.51 ± 15.314 µM against BChE, respectively. The biological activity values of these compounds against enzymes whose name are AChE, BChE, and hCAI were compared. Ellman and Verporte methods were used for the study of these enzymes. Cholinesterase inhibitors, also known as anti-cholinesterase and cholinesterase blocking drugs, are chemicals that prevent the breakdown of the neurotransmitter acetylcholine or butyrylcholine. They may be used as drugs for Alzheimer's and myasthenia gravis. It is a common method for comparing biological activity values of nickel complexes with molecular docking calculations. Nickel complexes were studied against enzymes that are human carbonic anhydrase isozyme I for ID 2CAB (hCA I), butyrylcholinesterase for ID 1P0I (BChE), and acetylcholinesterase for ID 1EEA (AChE), respectively.



中文翻译:

一些镍配合物的生物活性和分子对接研究:用于治疗阿尔茨海默氏症,青光眼和癫痫病的新类似物。

配位化合物与生物分子的相互作用导致对这些分子的药物潜力的研究。在这项研究中,对DSA(1-3)配位化合物的酶抑制作用进行了研究,这些化合物先前已研究过其抗癌和抗菌性能。另外,DSA(1 - 3)具有ķ相对于人类碳酸酐酶I的635.30 + 152.62、184.01 + 90.05和163.03±60.01 µM值,针对AChE的352.23±143.09、46.2±15.47和54.117±18.80 µM,针对AChE的310.64±97.35、35.54±7.01和101.51±15.314 µM分别针对BChE。比较了这些化合物对名称为AChE,BChE和hCAI的酶的生物活性值。Ellman和Verporte方法用于研究这些酶。胆碱酯酶抑制剂,也称为抗胆碱酯酶和胆碱酯酶封闭药,是防止神经递质乙酰胆碱或丁酰胆碱分解的化学物质。它们可以用作阿尔茨海默氏症和重症肌无力的药物。这是将镍配合物的生物活性值与分子对接计算进行比较的常用方法。

更新日期:2020-07-07
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