新型酪氨酸三肽的合成、对接研究、体外细胞毒性评价及DNA损伤机制,Journal of Biochemical and Molecular Toxicology

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新型酪氨酸三肽的合成、对接研究、体外细胞毒性评价及DNA损伤机制
Journal of Biochemical and Molecular Toxicology ( IF 3.2 ) Pub Date : 2023-05-27 , DOI: 10.1002/jbt.23388
Eray Çalışkan ₁ , Alpaslan Kaplan ₂ , Güldeniz Şekerci ₃ , İrfan Çapan ₄ , Suat Tekin ₃ , Sultan Erkan ₅ , Kenan Koran ₂ , Süleyman Sandal ₃ , Ahmet O Görgülü ₆

Affiliation

肽是主要的化合物之一，已经成为大量生物学研究的主题，并且仍然继续吸引研究人员的关注。本研究采用三嗪法合成了一系列基于酪氨酸氨基酸的三肽。所有化合物针对人癌细胞系 (MCF-7)、卵巢癌细胞系 (A2780)、前列腺癌细胞系 (PC-3) 和结肠癌细胞系 (Caco-2) 的细胞毒性特性均通过 3-[4,5- [二甲基噻唑-2-基]-2,5二苯基四唑溴化物测定方法，计算化合物的％细胞活力和logIC50值。所有细胞中均观察到细胞活力显着下降 ( p < 0.05)。彗星试验方法用于了解显示细胞活力显着降低的化合物通过 DNA 损伤产生这种效应。大多数化合物通过DNA损伤机制表现出细胞毒性。此外，通过对接研究研究了它们分别与对应于癌细胞系的PDB ID：3VHE、3C0R、2ZCL和2HQ6靶蛋白之间的相互作用。最后通过ADME分析确定了针对生物受体具有高生物活性的分子。

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Synthesis, docking studies, in vitro cytotoxicity evaluation and DNA damage mechanism of new tyrosine-based tripeptides

Peptides are one of the leading groups of compounds that have been the subject of a great deal of biological research and still continue to attract researchers' attention. In this study, a series of tripeptides based on tyrosine amino acids were synthesized by the triazine method. The cytotoxicity properties of all compounds against human cancer cell lines (MCF-7), ovarian (A2780), prostate (PC-3), and colon cancer cell lines (Caco-2) were determined by the 3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide assay method, and % cell viability and logIC50 values of the compounds were calculated. Significant decreases in cell viability were observed in all cells (p < 0.05). The comet assay method was used to understand that the compounds that showed a significant decrease in cell viability had this effect through DNA damage. Most of the compounds exhibited cytotoxicity by DNA damage mechanism. Besides, their interactions between investigated molecule groups with PDB ID: 3VHE, 3C0R, 2ZCL, and 2HQ6 target proteins corresponding to cancer cell lines, respectively, were investigated by docking studies. Finally, molecules with high biological activity against biological receptors were determined by ADME analysis.

更新日期：2023-05-27

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