Novel aldehyde and thiosemicarbazone derivatives: Synthesis, spectroscopic characterization, structural studies and molecular docking studies
Yazarlar (5)
Doç. Dr. Tuncay KARAKURT
Kırşehir Ahi Evran Üniversitesi, Türkiye
Karabük Üniversitesi, Türkiye
Dr. Öğr. Üyesi Nuriye Tuna SUBAŞI
Kırşehir Ahi Evran Üniversitesi, Türkiye
Karabük Üniversitesi, Türkiye
Ondokuz Mayis University Faculty Of Science And Arts, Türkiye
| Makale Türü | Özgün Makale (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 | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2016 |
| Cilt / Sayı / Sayfa | 1125 / 1 / 470–480 | DOI | 10.1016/j.molstruc.2016.07.013 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286016306846 | ||
| Özet |
| In this study our purpose is that, synthesis and characterization of compounds containing the aldehyde and thiosemicarbazone groups and comparison of the theoretical results with the experimental results. The structures of all synthesized compounds were elucidated by IR, H-1 NMR, C-13 NMR, elemental analyses techniques. The structure of compound (4) (C9H8N4O2S) was also elucidated by X-ray diffraction analysis. In addition, the theoretical IR spectrum, H-1 NMR and C-13 NMR chemical shift values, frontier molecular orbital values (FMO) of these molecules were analyzed by using Becke-3- Lee-Yang-Parr (B3LYP) method with LanL2DZ basis set. Finally, molecular docking studies were performed on synthesized compounds using the 4DKI beta-lactam protein structure to determine the potential binding mode of inhibitors. (C) 2016 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Aldehyde | Thiosemicarbazone | NMR | B3LYP | Beta-lactam |
Science Direct
Novel aldehyde and thiosemicarbazone derivatives: Synthesis, spectroscopic characterization, structural studies and molecular docking studies
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 6 |
| SCOPUS | 4 |
| Google Scholar | 6 |