Biologically active phthalocyanine metal complexes: Preparation, evaluation of a-glycosidase and anticholinesterase enzyme inhibition activities, and molecular docking studies

Emre Güzel; ümit M. Ko?yi?it; Parham TaslimiSultan ErkanOmer S. Taskin

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Biologically active phthalocyanine metal complexes: Preparation, evaluation of a-glycosidase and anticholinesterase enzyme inhibition activities, and molecular docking studies

机译：Biologically active phthalocyanine metal complexes: Preparation, evaluation of a-glycosidase and anticholinesterase enzyme inhibition activities, and molecular docking studies

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Abstract In this study, preparation, as well as investigation of a-glycosidase and cholines-terase (ChE) enzyme inhibition activities of furan-2-ylmethoxy-substituted compounds 1-7, are reported. Peripherally, tetra-substituted copper and manganese phthalocyanines (5 and 6) were synthesized for the first time. The substitution of furan-2-ylmethoxy groups provides remarkable solubility to the complex and red-shift of the phthalocyanines Q-band. Besides, the inhibitory effects of these compounds on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and a-glycosidase (a-Gly) enzymes have been investigated. The AChE was inhibited by these compounds (1-7) in low micromolar levels, and Ki values were recorded between 11.17 ± 1.03 and 83.28 ±11.08 uM. Against the BChE, the compounds demonstrated Ki values from 7.55 ± 0.98 to 81.35 ±12.80 uM. Also, these compounds (1-7) effectively inhibited a-glycosidase, with Ki values in the range of 744.87 ± 67.33 to 1094.38 ± 88.91 uM. For a-glycosidase, the most effective Ki values of phthalocyanines 3 and 6 were with Ki values of 744.87 ± 67.33 and 880.36 ±56.77 uM, respectively. Moreover, the studied metal complexes were docked with target proteins PDB ID: 4PQE, 1P0I, and 3WY1. Pharmacokinetic parameters and secondary chemical interactions that play an active role in interaction were predicted with docking simulation results. Overall, furan-2-ylmethoxy-substituted phthalocyanines can be considered as potential agents for the treatment of Alzheimer's diseases and diabetes mellitus.

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《Journal of biochemical and molecular toxicology》 |2021年第6期|e22765-e22765|共1页
作者
Emre Güzel; ümit M. Ko?yi?it; Parham TaslimiSultan ErkanOmer S. Taskin;
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作者单位

Department of Fundamental Sciences, Sakarya University of Applied Sciences, Sakarya, Turkey;

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正文语种英语
中图分类生物化学;
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cholinesterases; enzyme inhibition; molecular docking; phthalocyanine; a-glycosidase;

Biologically active phthalocyanine metal complexes: Preparation, evaluation of a-glycosidase and anticholinesterase enzyme inhibition activities, and molecular docking studies

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