Design and synthesis of new thienopyrimidine derivatives as potential anticancer agents: From cytotoxicity screening to VEGFR inhibition modeling
Yazarlar (6)
Doç. Dr. Feyzi Sinan TOKALI Kafkas Üniversitesi, Türkiye
Doç. Dr. Halil Şenol Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Arş. Gör. Şeyma Ateşoğlu Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Arş. Gör. Furkan Çakır Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Pelin Tokalı
Kafkas Üniversitesi, Veteriner Fakültesi, Türkiye
Kafkas Üniversitesi, Veteriner Fakültesi, Türkiye
Prof. Dr. Fahri Akbaş Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2026 |
| Cilt / Sayı / Sayfa | 1352 / 1 / 144425–0 | DOI | 10.1016/j.molstruc.2025.144425 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2025.144425 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| A series of novel thieno[3,2-d]pyrimidine derivatives were designed, synthesized, and evaluated for their anticancer potential against A549 lung cancer cells. In vitro cytotoxicity assays identified urea compounds (12-14) as the most potent, with compound 13 (p-Me substituted) exhibiting the highest activity (IC50 = 3.49 µM) and remarkable selectivity over BEAS-2B (SI = 36.7) and HUVEC (SI = 24.7) normal cells. The structure-activity relationship (SAR) analysis highlighted the critical role of the urea moiety in mediating bidentate hydrogen bonding, while substituents fine-tune hydrophobic and electrostatic interactions, optimizing potency and selectivity. To gain mechanistic insight into their action, molecular docking and MM-GBSA analyses were performed against VEGFR 1-2 and EGFR, revealing that 13 forms stable hydrogen bonds with key residues (Asp-1040, Glu-878 in VEGFR 1 and Cys-919, Asp-1046 … |
| Anahtar Kelimeler |
| Cytotoxicity | Lung cancer | Thienopyrimidine | Tyrosine kinases | VEGFR |
Science Direct
Design and synthesis of new thienopyrimidine derivatives as potential anticancer agents: From cytotoxicity screening to VEGFR inhibition modeling
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 12 |
| Scopus | 10 |
| Google Scholar | 14 |