对抗菌药物西普罗夫洛克萨与具有不同化物阳离子的基于伊米达的离子液体的结合性研究:光谱和密度功能理论分析
Abrar Siddiquee1, Zahoor Parray2, Aashima Anand1
1Biophysical Chemistry Laboratory, Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi 110025, India.
ACS omega
|November 29, 2023
概括
这项研究揭示了抗生素西普罗夫洛克萨 (CIP) 与离子液体 (IL) 的相互作用. 这些发现表明CIP和IL之间的自发的,由力驱动的复合形成,通过光谱和热量计方法证实了这一点.
科学领域:
- 物理化学 物理化学
- 超分子化学 超分子化学
- 材料科学 材料科学 材料科学
背景情况:
- 离子液体 (ILs) 是具有可调节性质的多功能溶剂.
- 了解药物-IL相互作用对于开发新的药物输送系统至关重要.
- 齐普洛素 (CIP) 是一种广泛使用的抗生素.
研究的目的:
- 调查西普洛素 (CIP) 与三种表面活性离子液体 ([C10mim][BF4],[C10mim][Br],[C10mim][Cl]) 之间的相互作用.
- 阐明CIP-IL复合体形成的结合机制和热力学参数.
- 探索IL结构对药物-IL相互作用的作用.
主要方法:
- 稳态和时间分辨率光谱学用于研究复杂的形成和结合参数.
- 紫外线可见光谱检查以确认CIP-IL复杂化.
- 异热定位热度计 (ITC) 用于确定热力学参数 (ΔH, ΔG, ΔS, Ka).
- 经典密度函数理论 (DFT) 计算用于理论见解.
主要成果:
- 光火和平均寿命的变化表明CIP和IL之间的复杂形成.
- 紫外线可见光谱学证实了CIP-IL复合物的形成.
- ITC的结果揭示了自发的,由力驱动的相互作用,涉及恐水力.
- DFT计算提供了对复杂化机制的更深入理解.
结论:
- 齐普罗夫洛克萨通过自发的,由度驱动的相互作用,与研究的离子液体形成复合体.
- 这些发现突显了这些离子液体在药物相互作用研究和应用方面的潜力.
- 光谱和热量测量技术有效地描述了药物-IL复杂化.
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