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Akademisyenler > Feyzi Sinan TOKALI > Yayın Detayı

Synthesis, Characterization and In Vitro & In Silico Biological Evaluation of New Mannich-Based Rhodanine and Thiazolidine-2,4-Dione Derivatives as Potential Anti-Lung Cancer Agents    
Yazarlar (8)
Şeyma Ateşoğlu
Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Furkan Çakır
Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Ayşe Merve Şenol
Sağlık Bilimleri Üniversitesi, Türkiye
Pelin Tokalı
Halil Şenol
Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Doç. Dr. Feyzi Sinan TOKALI Doç. Dr. Feyzi Sinan TOKALI
Kafkas Üniversitesi, Türkiye
Fahri Akbaş
Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Doç. Dr. Erbay KALAY Doç. Dr. Erbay KALAY
Kafkas Üniversitesi, Türkiye
Devamını Göster
Özet
AbstractIn this study, 10 new rhodanine and thiazolidine-2,4-dione derivatives based on Mannich-modified vanillin were synthesized, characterized, and evaluated for their anticancer potential against A549 lung cancer and BEAS-2B normal cells. Among them, compound 5c exhibited the most potent anticancer activity, with an IC50 of 2.43 μM and a selectivity index of 10.91, showing higher selectivity than the reference drug sorafenib. Molecular docking studies suggested 5c as a strong potential epidermal growth factor receptor (EGFR) inhibitor, supported by a docking score of –9.827 kcal/mol and key interactions with residues such as Met-793, Leu-788, and Phe-856. Molecular dynamics simulations further confirmed the stability of the 5c-EGFR complex. ADMET predictions indicated favorable pharmacokinetic and safety profiles for 5c, including high permeability, oral absorption, and no significant toxicity. These findings highlight 5c as a promising lead compound for targeted lung cancer therapy, warranting further preclinical studies.
Anahtar Kelimeler
Mannich base | rhodanine | thiazolidine-2,4-dione | molecular docking | A549
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı Synlett
Dergi ISSN 0936-5214 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili İngilizce
Basım Tarihi 02-2025
Cilt No 36
Sayı 17
Sayfalar 2939 / 2947
Doi Numarası 10.1055/a-2541-1072
Makale Linki https://doi.org/10.1055/a-2541-1072
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
WoS 3
Synthesis, Characterization and In Vitro & In Silico Biological Evaluation of New Mannich-Based Rhodanine and Thiazolidine-2,4-Dione Derivatives as Potential Anti-Lung Cancer Agents

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