Synthesis, Spectroscopic, Conceptual DFT Characterization and Molecular Docking Studies of Two Versatile di-Bromobenzaldehyde Derived Compounds
Yazarlar (3)
Prof. Dr. Arzu Özek Yıldırım Giresun Üniversitesi, Türkiye
Doç. Dr. Muhammet Hakkı Yıldırım Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Polycyclic Aromatic Compounds (Q2) | ||
| Dergi ISSN | 1040-6638 Dergi Bilgileri (2022) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2022 |
| Kabul Tarihi | 16-06-2021 | Yayınlanma Tarihi | 09-07-2021 |
| Cilt / Sayı / Sayfa | 42 / 8 / 5599–5615 | DOI | 10.1080/10406638.2021.1946095 |
| Makale Linki | http://dx.doi.org/10.1080/10406638.2021.1946095 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| (E)-4,6-dibromo-2-[(2-chlorophenylimino)methyl]-3-methoxyphenol (I) and (E)-4,6-dibromo-2-[(2,5-difluorophenylimino)methyl]-3-methoxyphenol (II) Schiff base compounds were synthesized and characterized by using experimental XRD, FT-IR, UV-Vis. spectroscopic methods and computational methods. Geometry optimizations were done by using Gaussian type orbitals in Gaussian 09 W and Slater type orbitals in ADF2009 software. Spectroscopic studies show that the compounds prefer enol form in both solid and solvent. Scan calculations revealed that the reason for the enol form preference and the energy for prototropic tautomerism. From the biological activity estimations, it was determined that the compounds could be a Monoamine Oxidase Type B inhibitor, and comparative in-silico molecular docking studies with reverse docking of human monoamine oxidase type B protein were performed. Theoretical … |
| Anahtar Kelimeler |
| Dibromobenzaldehyde | Monoamine Oxidase Type B | NLO |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 3 |
| Scopus | 2 |
| Google Scholar | 5 |