Ionic Liquids as Pharmaceutically Active Molecules

离子液体作为药物活性分子

• 批准号: 2133463
• 金额: --
• 依托单位: Imperial College London
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2133463
• 关键词: Ionic; Liquids; Pharmaceutically; Active; Molecules

This project proposes to conduct a fundamental study of the chemistry of ionic liquids (ILs) and deep eutectic solvents (DESs) in relation to active pharmaceutical ingredients (APIs). Pharmaceutical products are typically isolated as crystalline materials which this leads to key problems, including poor solubility, low thermal stability and polymorphism which in turn diminish therapeutic efficiency by reducing bioavailability. A second challenge is the rise of antimicrobial resistance, creating one of the biggest threats to global health (WHO) The biofilms in bacteria give rise to antibiotic resistance and the treatment of skin based bacterial biofilms is a significant challenge. ILs/DESs can create unique charge distributed environments that deliver enhanced and optimised solubility for APIs. The most exciting recent advances are that ILs/DESs provide both enhanced transdermal delivery of APIs as well as having broad spectrum antimicrobial activity, key in a time of increasingly resistant infections. As yet there is no fundamental molecular understanding of IL/DES-API interactions. Specifically this project will use quantum chemical (QC) methods to examine the short range molecule to molecule interactions. The project will employ state-of-the-art analysis techniques and focus on area where QC excels; bonding interactions, charge distribution and H-bonding.

本项目拟对与活性药物成分（API）相关的离子液体（IL）和低共熔溶剂（DES）的化学进行基础研究。药物产品通常作为结晶材料分离，这导致关键问题，包括溶解性差、热稳定性低和多晶型，这反过来又通过降低生物利用度而降低治疗效率。第二个挑战是抗菌素耐药性的上升，这是对全球健康的最大威胁之一（WHO）细菌中的生物膜引起抗生素耐药性，并且基于皮肤的细菌生物膜的治疗是一个重大挑战。IL/DES可以创造独特的电荷分布环境，为API提供增强和优化的溶解度。最令人兴奋的最新进展是IL/DES提供了API的增强透皮递送以及具有广谱抗微生物活性，这在耐药性日益增强的感染时期是关键。到目前为止，对IL/DES-API相互作用还没有基本的分子理解。具体来说，该项目将使用量子化学（QC）方法来研究短程分子与分子的相互作用。该项目将采用最先进的分析技术，并专注于QC擅长的领域;键合相互作用，电荷分布和氢键。