Modelling of transdermal transport using computational molecular simulation

使用计算分子模拟进行透皮运输建模

• 批准号: DP0664608
• 负责人: Dr Owen Jepps
• 金额: $ 16.85万
• 依托单位: Griffith University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2006
• 资助国家: 澳大利亚
• 起止时间: 2006-09-04 至 2009-09-03
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0664608
• 关键词: Modelling; transdermal; transport; using; computational

Through molecular simulation, we aim to model the transport of a variety of molecules through lipid bilayers typical of human skin, identifying key transport mechanisms and properties. We anticipate that this work will provide insight into existing transdermal delivery data, helping to identify relations between the physicochemical properties of a molecule and its transport properties. Ultimately, such knowledge can facilitate the development of more efficient transdermal drug delivery, which offers significant advantages over oral delivery (which leads to high waste and variability due to drug loss in the stomach and liver) and intravenous delivery (which raises compliance issues due to the adverse psychological response of patients).

通过分子模拟，我们的目标是模拟各种分子通过人类皮肤典型的脂质双层的运输，确定关键的运输机制和性质。我们预计，这项工作将提供深入了解现有的透皮给药数据，帮助确定分子的物理化学性质和其传输特性之间的关系。最终，这样的知识可以促进更有效的透皮药物递送的发展，这提供了优于口服递送（由于胃和肝脏中的药物损失而导致高浪费和可变性）和静脉内递送（由于患者的不良心理反应而引起依从性问题）的显著优势。