A novel drug discovery workflow combining DNA-encoded library, AI machine learning and cryo-electron microscopy

结合 DNA 编码库、人工智能机器学习和冷冻电子显微镜的新型药物发现工作流程

• 批准号: 2750385
• 金额: --
• 依托单位: Newcastle University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2022
• 资助国家: 英国
• 起止时间: 2022 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2750385
• 关键词: novel; drug; discovery; workflow; combining

I am using a novel drug discovery workflow to identify small molecule compound hits for a metabolic enzyme, which has been implicated as a therapeutic target for rare genetic diseases, underpinned by inborn errors of metabolism. This approach aims to facilitate structure based drug discovery for targets recalcitrant to crystallography.

我正在使用一种新的药物发现工作流程来识别代谢酶的小分子化合物，该代谢酶被认为是罕见遗传疾病的治疗靶点，其基础是先天性代谢缺陷。这种方法的目的是促进基于结构的药物发现的目标，晶体学。