In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes

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Avcı D.
Özge Ö.
Sönmez F.
Tamer Ö.
Başoğlu A.
Atalay Y.
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Aim: The goal of this study is to synthesize new metal complexes containing N-methyl-1-(pyridin-2-yl)methanimine and azide ligands as α-glucosidase inhibitors for Type 2 diabetes. Materials & methods: The target complexes (12–16) were synthesized by reacting N-methyl-1-(pyridin-2-yl)methanimine (L1) with sodium azide in the presence of corresponding metal salts. The investigation of target protein interactions, vibrational, electronic and nonlinear optical properties for these complexes was performed by molecular docking and density functional theory studies. Results: Among these complexes, complex 13 (IC50 = 0.2802 ± 0.62 μM) containing Hg ion showed the highest α-glucosidase inhibitory property. On the other hand, significant results were detected for complexes containing Cu and Ag ions. Conclusion: Complex 13 may be an alternate anti-diabetic inhibitor according to in vitro/docking results.
Eczacılık, Temel Eczacılık Bilimleri, Yaşam Bilimleri, Biyoteknoloji, Moleküler Biyoloji ve Genetik, Sitogenetik, Sağlık Bilimleri, Temel Bilimler, Pharmacology and Therapeutics, Basic Pharmaceutics Sciences, Life Sciences, Biotechnology, Molecular Biology and Genetics, Cytogenetic, Health Sciences, Natural Sciences, Yaşam Bilimleri (LIFE), Farmakoloji ve Toksikoloji, Mikrobiyoloji, FARMAKOLOJİ VE ECZACILIK, BİYOKİMYA VE MOLEKÜLER BİYOLOJİ, BİYOTEKNOLOJİ VE UYGULAMALI MİKROBİYOLOJİ, Life Sciences (LIFE), PHARMACOLOGY & TOXICOLOGY, MOLECULAR BIOLOGY & GENETICS, MICROBIOLOGY, PHARMACOLOGY & PHARMACY, BIOCHEMISTRY & MOLECULAR BIOLOGY, BIOTECHNOLOGY & APPLIED MICROBIOLOGY, Moleküler Tıp, Farmakoloji, İlaç Keşfi, Molecular Medicine, Pharmacology, Drug Discovery, azide, Cu/Hg/Cd/Ag/Zn ions, Schiff base, spectral elucidation, TD/DFT methods, α-glucosidase/docking
Avcı D., Özge Ö., Sönmez F., Tamer Ö., Başoğlu A., Atalay Y., ZENGİN KURT B., "In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes", Future Medicinal Chemistry, 2024
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