An experimental and computational studies, evaluating the in vitro antidiabetic and antioxidant activity, in silico prediction ADMET properties of 5‐chloro‐1H‐benzimidazole and its newly synthesized silver(I) complex
Yazarlar (4)
Zonguldak Bülent Ecevit Üniversitesi, Türkiye
Doç. Dr. Sibel ÇELİK
Kırşehir Ahi Evran Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Doç. Dr. Ebru ÇÖTELİ
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | APPLIED ORGANOMETALLIC CHEMISTRY | ||
| Dergi ISSN | 0268-2605 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 06-2024 |
| Cilt / Sayı / Sayfa | 38 / 6 / – | DOI | 10.1002/aoc.7499 |
| Makale Linki | http://dx.doi.org/10.1002/aoc.7499 | ||
| Özet |
| In this research, a new Ag(I) complex, namely, [Ag(5-chloro-1H-benzimidazole)2(NO3)], has been synthesized using the benzimidazole-based ligand 5-chloro-1H-benzimidazole (5ClBZ). Ag(I) complexes were characterized by elemental analysis, UV-Vis, FT-IR, and 1H NMR spectroscopy, and DFT analysis was used. The free ligand and its Ag(I) complexes were tried for their biochemical properties, including antioxidant and antidiabetic properties. To study the molecular structures of the title compounds, in silico ADME/Tox research was performed on the newly made complex and free ligand. The empirical guidelines relating to ADME were utilized to conduct molecular docking simulations and in-depth drug-likeness profiling. This was carried out to validate the conclusions and identify exact binding interactions. Based on the study's findings, it has been determined that these new compounds have significant potential as powerful therapeutic agents for controlling antioxidant and antidiabetic activities. In this research, a new Ag(I) complex, namely, [Ag(5-Chlorobenzimidazole)2NO3], has been synthesized and characterized by elemental analysis, IR, UV-Vis, and 1H NMR spectroscopy. The electronic behavior of the compounds were investigated with DFT method. Also, antioxidant and antidiabetic properties of the ligand and its Ag(I) complex were investigated. image |
| Anahtar Kelimeler |
| 5-chloro-1H-benzimidazole | ADME | antidiabetic | antioxidant | DFT | molecular docking |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 2 |