1,2,3-Triazole substituted phthalocyanine metal complexes as potential inhibitors for anticholinesterase and antidiabetic enzymes with molecular docking studies

Kocyigit Umit M.; Taslimi Parham; Tuzun BurakYakan HasanMuglu HalitGuzel Emre

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1,2,3-Triazole substituted phthalocyanine metal complexes as potential inhibitors for anticholinesterase and antidiabetic enzymes with molecular docking studies

机译：1,2,3-Triazole substituted phthalocyanine metal complexes as potential inhibitors for anticholinesterase and antidiabetic enzymes with molecular docking studies

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In recent years, acetylcholinesterase (AChE) and alpha-glycosidase (alpha-gly) inhibition have emerged as a promising and important approach for pharmacological intervention in many diseases such as glaucoma, epilepsy, obesity, cancer, and Alzheimer's. In this manner, the preparation and enzyme inhibition activities of peripherally 1,2,3-triazole group substituted metallophthalocyanine derivatives with strong absorption in the visible region were presented. These novel metallophthalocyanine derivatives (2-6) effectively inhibited AChE, with K-i values in the range of 40.11 +/- 5.61 to 78.27 +/- 15.42 mu M. For alpha-glycosidase, the most effective K-i values of compounds 1 and 2 were with K-i values of 16.11 +/- 3.13 and 18.31 +/- 2.42 mu M, respectively. Also, theoretical calculations were investigated to compare the chemical and biological activities of the ligand (1) and its metal complexes (2-6). Biological activities of 1 and its complexes against acetylcholinesterase for ID 4M0E (AChE) and alpha-glycosidase for ID 1R47 (alpha-gly) are calculated. Theoretical calculations were compatible with the experimental results and these 1,2,3-triazole substituted phthalocyanine metal complexes were found to be efficient inhibitors for anticholinesterase and antidiabetic enzymes. Communicated by Ramaswamy H. Sarma

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《Journal of Biomolecular Structure and Dynamics》 |2022年第10期|4429-4439|共11页
作者
Kocyigit Umit M.; Taslimi Parham; Tuzun BurakYakan HasanMuglu HalitGuzel Emre;
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作者单位

Dept Basic Pharmaceut Sci,Sivas Cumhuriyet Univ;

Fac Sci,Bartin Univ;

Dept Chem,Sivas Cumhuriyet UnivDept Chem Educ,Ondokuz Mayis UnivDept Chem,Kastamonu UnivDept Fundamental Sci,Sakarya Univ Appl Sci;

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正文语种英语
中图分类分子生物学;
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Phthalocyanine; triazole; enzyme inhibition; molecular docking; DFT studies;

1,2,3-Triazole substituted phthalocyanine metal complexes as potential inhibitors for anticholinesterase and antidiabetic enzymes with molecular docking studies

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