Experimental and Theoretical Studies on A New Sulfonamide Derivative and Its Copper Complex: Synthesis, FT-IR, NMR, DFT, Molecular Docking and In Silico Investigations
Yazarlar (5)
Çankiri Karatekin Üniversitesi, Türkiye
Prof. Dr. Mustafa Tuğfan BİLKAN
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Çankiri Karatekin Üniversitesi, Türkiye
Doç. Dr. Çiğdem BİLKAN
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Çankırı Karatekin Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Journal of Molecular Structure |
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | Türkçe |
| Basım Tarihi | 01-2024 |
| Cilt No | 1302 |
| Sayı | 1 |
| DOI Numarası | 10.1016/j.molstruc.2024.137531 |
| Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2024.137531 |
| Özet |
| Sulfonamide and its derivatives are important antibacterial and antimicrobial agents in treating infections. In this study, a new sulfonamide derivative and its Cu(II) complex were produced and characterized due to their biological and medical importance. The structures of the produced compounds were elucidated using CHNS elemental analysis, spectroscopic techniques (FT-IR, NMR), and quantum chemical calculations. Vibrational modes, molecular electrostatic potential maps, and HOMO-LUMO analyses were performed for each compound. Important reactive descriptors of compounds were calculated, and the effects of solvent media on these parameters were revealed. In addition, drug-likeness, ADME, toxicity, molecular docking, and activity results of carbonic anhydrase, important parameters for biological and medical investigations, were determined. |
| Anahtar Kelimeler |
| Density functional theory | FT-IR spectroscopy | In silico predictions | Molecular docking | Sulfonamide derivatives |
Science Direct
Experimental and Theoretical Studies on A New Sulfonamide Derivative and Its Copper Complex: Synthesis, FT-IR, NMR, DFT, Molecular Docking and In Silico Investigations
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 3 |
| SCOPUS | 4 |
| Google Scholar | 4 |