Molecular Diversity ( IF 3.9 ) Pub Date : 2021-08-20 , DOI: 10.1007/s11030-021-10293-5 Chuanrong Yu 1 , Mostafa Heidari Majd 2 , Fereshteh Shiri 3 , Somaye Shahraki 3 , Pouya Karimi 3
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Abstract
Herein, the synthesis, structure, binding affinity, cytotoxicity, and apoptotic properties of the new Zn(II) complex composed of folic acid and bipyridine ligands are reported. Because folic acid has the ability to target cancer cells directly, so it can play a role in targeted drug delivery of the complex and be useful to distinguish normal cells from cancerous. After characterization of Zinc complex utilizing FTIR, EA, and NMR, the results of MTT assay were shown that viability levels of two FR-positive cell lines (HeLa and Ovcar-3) are dependent on time and concentration of [Zn(bpy)FA], whereas, did not show a significant effect on FR-negative cell lines (A549). Also, Real-time PCR revealed that the presence of FA can influence the expression of apoptosis in cervical carcinoma HeLa cells while cisplatin alone doesn't have the ability to trigger apoptosis. Furthermore, the experimental results were evaluated using pharmacophore modeling and molecular docking analysis. Finally, the stability of the Zn(II) complex was surveyed using quantum mechanical studies.
Graphic abstract
中文翻译：
叶酸在锌(II)复合物诱导卵巢和宫颈癌细胞凋亡中的作用
摘要
本文报道了由叶酸和联吡啶配体组成的新型 Zn(II) 复合物的合成、结构、结合亲和力、细胞毒性和凋亡特性。由于叶酸具有直接靶向癌细胞的能力，因此可以起到复合物靶向给药的作用，有助于区分正常细胞和癌细胞。在利用 FTIR、EA 和 NMR 对锌复合物进行表征后，MTT 测定的结果表明，两种 FR 阳性细胞系（HeLa 和 Ovcar-3）的活力水平取决于时间和 [Zn(bpy)FA 的浓度]，而对 FR 阴性细胞系 (A549) 没有显着影响。此外，实时荧光定量 PCR 显示，FA 的存在可以影响宫颈癌 HeLa 细胞凋亡的表达，而单独的顺铂不会。t 具有触发细胞凋亡的能力。此外，使用药效团建模和分子对接分析评估实验结果。最后，使用量子力学研究调查了 Zn(II) 配合物的稳定性。
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