对二元和三元铜 (II) 复合物的感知:合成,表征,DFT建模,抗菌活性,蛋白质结合屏幕和氨基酸相互作用
Doaa S El-Sayed1, Eman M Tawfik2, Amel F Elhusseiny2
1Chemistry Department, Faculty of Science, Alexandria University, 2 Bagdad Street, P.O. Box 2-Moharrem Beck, Alexandria, 21321, Egypt. doaa.saeed@alexu.edu.eg.
BMC chemistry
|June 14, 2023
概括
新的铜 (II) 复合物对抗抗生素耐药性. 该研究合成了基于pefloxacin的复合物,显示出对大肠杆菌的显著抗菌活性,这为对抗耐药细菌提供了有希望的策略.
科学领域:
- 药用化学 医学化学
- 材料科学 材料科学 材料科学
- 计算化学的计算化学
背景情况:
- 抗生素耐药性是全球主要的健康威胁,需要新的治疗策略.
- 开发新的抗生素是一个缓慢的过程,突出了提高现有药物的必要性.
- 复合铜 (II) 复合物有可能提高抗微生物药物的有效性.
研究的目的:
- 为了合成和描述基于pefloxacin药物的新型铜 (II) 复合物.
- 为了评估这些复合物的抗微生物活性对各种微生物物种.
- 研究这些复合物的潜力,作为氨基酸检测的开启光体.
主要方法:
- 三种铜(II) - 佩弗洛克萨辛复合物的合成和表征 (一个二进制,两个三进制).
- 光谱 (光) 和热分析.
- 计算研究包括量子化学计算和分子静电电位映射.
- 对六种微生物物种进行抗微生物敏感性测试.
- 对抗细菌受体 (5I2D和6O15) 的分子对接模拟.
主要成果:
- 一个八面体二元体和两个扭曲的正方形金字塔三元体复合物的形成得到证实.
- 光光谱显示了用于氨基酸检测的开启光体.
- 与三元复合体相比,二元复合体表现出优越的抗微生物功效.
- 与 gentamicin 相比,这三种复合物都显示出对大肠杆菌的增强活性.
- 对接模拟显示了与细菌受体的强烈结合亲和,特别是与5I2D的二元复合体.
结论:
- 佩弗洛克萨的铜 (II) 复合物显示出对抗抗生素耐药性的重大潜力.
- 合成的复合物表现出有前途的抗微生物活性,特别是在对抗像大肠杆菌 (E. coli) 这样的阴性细菌.
- 这些复合物可以作为开发新抗菌剂或诊断工具的有价值的线索.
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