Design, Synthesis, and Anticancer Evaluation of a Limonene‐Based LIM‐co‐NCA Copolymer via Experimental and Computational Approaches
    
Yazarlar (5)
Hülya Elmalı Gülbaş
Usak University, Ermenistan
Nevin Çankaya
Usak University, Ermenistan
Doç. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
Doç. Dr. Murat MISIR Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Serap YALÇIN AZARKAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Polymers for Advanced Technologies (Q2)
Dergi ISSN 1042-7147 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 10-2025
Cilt / Sayı / Sayfa 36 / 10 / – DOI 10.1002/pat.70376
Makale Linki https://doi.org/10.1002/pat.70376
Özet
In this study, a novel copolymer of limonene and N‐cyclohexylacrylamide (LIM‐co‐NCA) was synthesized and extensively characterized for both its physicochemical and biological properties. The chemical structure of the copolymer was confirmed through Fourier transform infrared and proton nuclear magnetic resonance spectroscopic techniques. Gel Permeation Chromatography (GPC) analysis revealed that LIM‐co‐NCA possesses low molecular weight and oligomeric characteristics. Thermal stability was evaluated using thermogravimetric analysis, while its antiproliferative potential was assessed against the HeLa cervical cancer cell line, demonstrating inhibitory effects. This study investigates the stability and binding affinities of Comp1, Comp2, and Comp3 ligands with 3FAA and 6GUB receptors using computational chemistry methods. Ligand geometries were optimized by density functional theory, and …
Anahtar Kelimeler
antiproliferative effect | density functional theory (DFT) | he-La cell | LIM-co-NCA | MMPBSA | molecular dynamics (MD)