Synthesis of quinazoline derivatives with new phenolic moieties: in vitro and in silico evaluations as alternative polyphenol oxidase inhibitors
Yazarlar (6)
Cansu Öztürk Atatürk Üniversitesi, Türkiye
Doç. Dr. Feyzi Sinan TOKALI Kafkas Üniversitesi, Türkiye
Doç. Dr. Aykut Öztekin Ağrı İbrahim Çeçen Üniversitesi, Türkiye
Doç. Dr. Erbay KALAY Kafkas Üniversitesi, Türkiye
Dr. Öğr. Üyesi Yalçın Karagöz Aǧrı İbrahim Çeçen Üniversitesi, Türkiye
Doç. Dr. Mine Aksoy Atatürk Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Chemical Papers (Q3) | ||
| Dergi ISSN | 0366-6352 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2024 |
| Cilt / Sayı / Sayfa | 78 / 15 / 8321–8332 | DOI | 10.1007/s11696-024-03670-5 |
| Makale Linki | http://dx.doi.org/10.1007/s11696-024-03670-5 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| Several novel quinazoline derivatives bearing phenolic hydroxyl moiety (2–7) have been produced with good yields and screened for biological activities. All the title compounds were characterized using spectroscopic techniques such as 1H NMR, 13C NMR, FTIR, and HRMS. Then, the anti-browning effects of synthesized quinazoline derivatives were investigated in vitro. The IC50 values for molecules 2–7 were calculated as 0.085, 1.145, 0.106, 6.86, 0.52, 7.07 µM, respectively. Ki constants, which are inhibitory-enzyme binding constants, were calculated by using Lineweaver–Burk graphs as 0.16 ± 0.0620, 0.906 ± 0.3029, 0.055 ± 0.0171, 9.363 ± 2.5809, 0.773 ± 0.3204, 7.863 ± 1.9107 µM, respectively. In computer-aided analysis, to gain insights electrochemical properties, synthesized compounds were analysed theoretically by density functional theory. Molecular docking studies and MD … |
| Anahtar Kelimeler |
| Catechol oxidase | DFT | MD simulations | Molecular docking | Quinazoline derivatives |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 4 |
| Scopus | 3 |
| Google Scholar | 4 |