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PEPPSI complexes as potential prodrugs: enzyme inhibition, antioxidant activity, electrochemical characterization, molecular docking analysis
Zeitschrift für Naturforschung C ( IF 1.8 ) Pub Date : 2021-05-01 , DOI: 10.1515/znc-2020-0295
Elvan Üstün 1 , Mutlu S Çelebi 1 , Melek Ç Ayvaz 1 , Neslihan Şahin 2
Affiliation  

In this study, enzyme inhibition and antioxidant activity analyzes of previously characterized pyridine-enhanced precatalyst preparation stabilization and initiation (PEPPSI)-type Palladium(II) complexes with benzimidazole-type ligands {dichloro[L]pyridine palladium(II), L1: 1-(2-methyl-2-propenyl)-3-[benzylbenzimidazole]-2-ylidene, L2: 1-(2-methyl-2-propenyl)-3-[4-chloro benzylbenzimidazole]-2-ylidene, L3: 1-(2-methyl-2-propenyl)-3-[3-methylbenzylbenzimidazole]-2-ylidene, L4: 1-(2-methyl-2-propenyl)-3-[3,4,5-thrimethoxybenzylbenzimidazole]-2-ylidene, L5: 1-(2-methyl-2-propenyl)-3-[3-naphthylbenzylbenzimidazole]-2-ylidene, L6: 1-(2-methyl-2-propenyl)-3-[anthracen-9-ylmethylbenzimidazole]-2-ylidene} were performed and evaluated as potential drugs for neurodegenerative disorders such as Alzheimer disease and Parkinson disease. Inhibition of tyrosinase enzyme of N-heterocyclic carbenes (NHC) complexes was determined for the first time in literature. Chelating activities of the complexes were determined and compared with EDTA. Electrochemical characterization was performed using cyclic voltammetry method. Moreover, global reactivity descriptors and electronic transitions were evaluated by DFT/TDDFT methods and molecular docking interactions with human acetylcholine esterase, human butyrylcholine esterase and oxidoreductase were studied.

中文翻译:

PEPPSI 复合物作为潜在的前药:酶抑制、抗氧化活性、电化学表征、分子对接分析

文献中首次确定了 N-杂环卡宾 (NHC) 复合物对酪氨酸酶的抑制作用。测定复合物的螯合活性并与 EDTA 进行比较。使用循环伏安法进行电化学表征。此外,通过 DFT/TDDFT 方法评估了全局反应性描述符和电子跃迁,并研究了与人乙酰胆碱酯酶、人丁酰胆碱酯酶和氧化还原酶的分子对接相互作用。
更新日期:2021-04-29
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