New 5-iodoisatin-thiosemicarbazones: preparation, spectroscopic characterization, antioxidant, urease inhibition activities, DFT studies, molecular docking, and molecular dynamic simulations
Yazarlar (7)
Doç. Dr. Hasan Yakan Ondokuz Mayis Üniversitesi, Türkiye
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Temel Kan BAKIR Kastamonu Üniversitesi, Türkiye
Semiha Yenigün
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
Amhimmid Ghayth Amhimmid Misbah
Kastamonu Üniversitesi, Türkiye
Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Prof. Dr. Tevfik Özen Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Research on Chemical Intermediates (Q2) | ||
| Dergi ISSN | 0922-6168 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2026 |
| Cilt / Sayı / Sayfa | 52 / 1 / 631–661 | DOI | 10.1007/s11164-025-05761-8 |
| Makale Linki | https://doi.org/10.1007/s11164-025-05761-8 | ||
| UAK Araştırma Alanları |
Organik Kimya
Spektroskopi
|
||
| Özet |
| New isatin-thiosemicarbazone compounds (1–7) were synthesized from numerous thiosemicarbazides and 5-iodoisatin with high yields and efficient methods. The compounds' structures were characterized through FT-IR, 1H NMR, and 13C NMR spectroscopy, supported by elemental analysis. Density functional theory (DFT) calculations were employed to investigate the structural and electronic properties of the compounds, with a discussion on their correlation to antioxidant activity. The antioxidant potential of the synthesized compounds was evaluated in vitro using the 1,1-diphenyl-2-picryl hydrazyl (DPPH.) free radical scavenging assay. These compounds exhibited IC50 values ranging from 15.36 ± 0.03 to 22.46 ± 0.05 μM, with compound 7 demonstrating the best antioxidant activity among them. The free radical scavenging effects of the compounds, based on their IC50 values, followed the order: 7 > 4 … |
| Anahtar Kelimeler |
| Antioxidant activity | DFT | Molecular docking | Spectroscopic characterization | Thiosemicarbazones | Urease inhibition |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 1 |
| Scopus | 1 |
| Google Scholar | 3 |