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

Ateşoğlu, Şeyma; Çakır, Furkan; Şenol, Ayşe Merve; Tokalı, Pelin; Şenol, Halil; TOKALI, FEYZİ SİNAN; Akbaş, Fahri; KALAY, ERBAY

doi:10.1055/a-2541-1072

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 Kafkas Üniversitesi, Türkiye

Fahri Akbaş Bezm-İ Âlem Vakıf Üniversitesi, Türkiye

Doç. Dr. Erbay KALAY Kafkas Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	SYNLETT (Q3)
Dergi ISSN	0936-5214 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	10-2025
Cilt / Sayı / Sayfa	36 / 17 / 2939–2947	DOI	10.1055/a-2541-1072
Makale Linki	https://doi.org/10.1055/a-2541-1072

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

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
WoS	7

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

Dergi Adı	SYNLETT
Yayıncı	Georg Thieme Verlag
Açık Erişim	Hayır
ISSN	0936-5214
E-ISSN	1437-2096
CiteScore	3,3
SJR	0,437
SNIP	0,384

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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