Bioactivity and molecular docking studies of some nickel complexes: New analogues for the treatment of Alzheimer, glaucoma and epileptic diseases

• Published in: Bioorganic chemistry 2020-08, Vol.101, p.104066-104066, Article 104066
• Main Authors: Kısa, Dursun, Korkmaz, Nesrin, Taslimi, Parham, Tuzun, Burak, Tekin, Şaban, Karadag, Ahmet, Şen, Fatih
• Format: Article
• Language: English
• Subjects: Alzheimer Disease - drug therapy; Enzyme inhibition; Epilepsy - drug therapy; Glaucoma - drug therapy; Humans; Metabolic enzymes; Molecular docking; Molecular Docking Simulation - methods; Molecular Structure; Nickel - pharmacology; Nickel - therapeutic use; Nickel complexes; Structure-Activity Relationship
• ISSN: 0045-2068; 1090-2120
• DOI: 10.1016/j.bioorg.2020.104066

[Display omitted] •The interaction of the DSA coordination compounds with biological molecules.•Bioactivity study of some Nickel Complexes on Alzheimer's, and Epileptic Diseases.•Analysis of the biological activity of some complexes against three different enzymes. 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 (1–3) 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.