Promising Novel Heterocyclic Drug Candidates: Synthesis, Characterization, DFT Calculations an In Silico Investigations of Anticancer Behaviors
Yazarlar (3)
Öğr. Gör. Ömer Dilek Isparta Uygulamalı Bilimler Üniversitesi, Türkiye
Doç. Dr. Tolga Acar YEŞİL Sinop Üniversitesi, Türkiye
Prof. Dr. Tahir Tilki Süleyman Demirel Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Polycyclic Aromatic Compounds (Q1) | ||
| Dergi ISSN | 1040-6638 Dergi Bilgileri (2025) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2025 |
| Cilt / Sayı / Sayfa | 45 / 3 / 469–489 | DOI | 10.1080/10406638.2024.2409842 |
| Makale Linki | https://doi.org/10.1080/10406638.2024.2409842 | ||
| UAK Araştırma Alanları |
Organik Kimya
Spektroskopi
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| Özet |
| In recent years, the inadequacy and high costs of current cancer treatment drugs have led to an increase in research focused on the design and synthesis of new compounds with potential applications in this field and the evaluation of their anticancer properties using in silico methods. For this purpose, four novel heterocyclic compounds (6–9) were synthesized and characterized using spectroscopic techniques. The DFT approach and B3LYP/6-311G(d,p) basis set were used to compare theoretical data with experimental ones and to obtain optimized geometries. It was observed that experimental and theoretical data were in harmony. In silico techniques were used to investigate the potential of synthesized compounds as drug candidates. ADMEt results have shown that all synthesized compounds have Lipinski’s rule of five which has searched criteria in drug candidates. Molecular docking studies were also … |
| Anahtar Kelimeler |
| ADMET | Heterocyclic | imidazole | indole | molecular docking |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 10 |
| Scopus | 9 |
| Google Scholar | 10 |