Identification and synthesis of novel medicinal chemistry relevant heterocycles

新型药物化学相关杂环的鉴定与合成

• 批准号: 2185001
• 金额: --
• 依托单位: University of Dundee
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2185001
• 关键词: Identification; synthesis; novel; medicinal; chemistry

Replacing high throughput biochemical screening for drug targets, with high throughput fragment screening (e.g. XChem methodology) followed by enhanced computational approaches to optimise fragment hits into leads, could accelerate projects and reduce costs and the requirement for large compound libraries. To achieve this high quality fragment libraries covering a broad chemical space must be developed. Fortunately, thousands of possible medicinal chemistry relevant heterocycles that would enrich fragment screening sets and be useful building blocks for medicinal chemistry campaigns are unreported.These novel heterocycles, knowledge of workable synthetic routes and the establishment of new synthetic methodology will facilitate the delivery of medicinal chemistry programmes.

用高通量片段筛选（例如 XChem 方法）取代药物靶标的高通量生化筛选，然后采用增强的计算方法来优化片段命中先导化合物，可以加速项目并降低成本和对大型化合物库的需求。为了实现这种高质量的片段库，必须开发覆盖广泛化学空间的片段库。幸运的是，数千种可能的药物化学相关杂环化合物尚未被报道，这些杂环化合物将丰富片段筛选集并成为药物化学活动的有用构建模块。这些新颖的杂环化合物、可行合成路线的知识以及新合成方法的建立将促进药物化学项目的实施。