Synthesis, Characterization, Crystal Structure, and BSA-Binding Properties with the Presence of Ca2+, Mg2+, and Zn2+ Ions by N(7)-Substituted Theophyllines
Küçük Resim Yok
Tarih
2025
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Wiley-V C H Verlag Gmbh
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Theophylline (1,3-dimethylxanthine) contains a fused imidazole-pyrimidine ring system with conjugated double bonds. It is a naturally occurring alkaloid that belonging to the xanthine family. Various substituted theophylline derivatives widely known as biologically active scaffolds. In this work, the N(7)-substituted theophylline compounds were synthesized and characterized by 13C-NMR, 1H NMR, elemental analysis, and FT-IR spectroscopy. The crystal structure of 1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1b, was determined by single crystal X-ray diffraction analysis. The interactions of substituted theophylline type molecules with BSA were analyzed by the Stern-Volmer method and Stern-Volmer constants, rate constants, binding numbers, and binding constants of each molecule were determined. In addition, the interaction of BSA with the presence of Ca2+, Mg2+, and Zn2+ ions were investigated, and it was determined that the addition of metal ions decreased the binding values for all molecules except 1b. The details of the bindings detected for this study were also examined by the molecular docking method. The interactions of the N(7)-substituted theophylline compounds with DNA were analyzed by Benesi-Hildebrand method. The molecular docking method has also been used for the interactions of molecules against DNA.
Açıklama
Anahtar Kelimeler
BSA binding, Fluorescent spectroscopy, Molecular docking, N(7)-substituted theophylline, X-ray diffraction
Kaynak
Chemistryselect
WoS Q Değeri
Q3
Scopus Q Değeri
N/A
Cilt
10
Sayı
24
