Heteroleptic zinc(II) complexes based on tridentate hydrazide Schiff bases for DNA binding and alkaline phosphatase inhibition studies
Journal of Molecular Structure, cilt.1366, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1366
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.molstruc.2026.146047
- Dergi Adı: Journal of Molecular Structure
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC
- Anahtar Kelimeler: Biological applications, DFT calculation, Hydrazide Schiff bases, Single crystal, Zinc(II) complexes
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
In the present work, two Schiff bases were synthesized from isonicotinic acid hydrazide, namely, 4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide (HS1) and (2-hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide (HS2) by following a simple and economic procedure. Furthermore, their heteroleptic zinc(II) complexes were synthesized using 2,9-dimethyl-1,10-phenanthroline, namely, 2,9-dimethyl-1,10-phenanthroline-N,N')[(4-diethylamino)-2(hydroxybenzylidene)isonicotinohydrazideO,N]zinc(II) (HS1C1) and 2,9-dimethyl-1,10-phenanthroline-N,N')[(2-hydroxynaphthalen-1-yl)methylene)isonicotinohydrazidoO,N]zinc(II) (HS2C2). The molecular and crystal structures of HS1, HS1C1, and HS2C2 were determined through single-crystal XRD analysis, which confirms the targeted synthesis. Zinc(II) is penta-coordinated in both complexes and adopts a distorted square pyramidal geometry. The findings from solid-state FT-IR and in solution multi-nuclear NMR spectroscopy provide additional support to the data from single-crystal XRD. A theoretical DFT study was conducted to thoroughly investigate the structural and electronic properties of the synthesized compounds. The DNA interaction study through UV–Visible spectroscopy, viscometry, and molecular docking indicates their strong ability to bind with DNA. The inhibition of alkaline phosphatase (ALP) was evaluated through absorption spectroscopy as well as molecular docking. The findings from both approaches reveal the potent nature of the synthesized Schiff bases and their complexes, as they exhibited the well-known concentration/structure-dependent inhibition of enzymes.