2,3-Dihydroquinazolin-4(1H)-one derivatives as potent aldose reductase inhibitors: a combined experimental and computational study
Yazarlar (4)
Doç. Dr. Feyzi Sinan TOKALI Kafkas Üniversitesi, Türkiye
Prof. Dr. Yeliz Demir Ardahan Üniversitesi, Türkiye
Nurgül Abul Atatürk Üniversitesi, Türkiye
Doç. Dr. HALİL Şenol Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Bioorganic Chemistry (Q1) | ||
| Dergi ISSN | 0045-2068 Dergi Bilgileri (2026) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2026 |
| Cilt / Sayı / Sayfa | 180 / 1 / – | DOI | 10.1016/j.bioorg.2026.110081 |
| Makale Linki | https://doi.org/10.1016/j.bioorg.2026.110081 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| Abstract A series of sixteen 2,3-dihydroquinazolin-4(1 H )-one derivatives was designed and synthesized to evaluate their potential as aldose reductase (ALR2) inhibitors for the management of diabetic complications. The synthesized compounds were structurally characterized by FT-IR, NMR, and HRMS analyses, and their inhibitory activities were assessed through in vitro enzyme assays. All compounds exhibited notable ALR2 inhibition, with K i values ranging from 0.052 to 1.272 μM. Among them, compound 9 demonstrated the highest potency ( K i = 0.052 μM), showing approximately 21-fold stronger activity than the reference inhibitor epalrestat ( K i = 1.124 μM). Structure-activity relationship analysis revealed that para-positioned electron-donating substituents and optimally positioned hydrogen-bond donor groups significantly enhance inhibitory activity, while ortho substitution adversely affects binding … |
| Anahtar Kelimeler |
| 2,3-dihydroquinazolin-4(1H)-one | Aldose reductase | ALR2 | Inhibition | Molecular dynamics |
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2,3-Dihydroquinazolin-4(1H)-one derivatives as potent aldose reductase inhibitors: a combined experimental and computational study
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| Atıf Sayıları | |
| Google Scholar | 1 |