Development of Small Molecule EPAC1 Activity Modulators

小分子EPAC1活性调节剂的开发

• 批准号: 2123467
• 金额: --
• 依托单位: Heriot-Watt University
• 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-2123467
• 关键词: Development; Small; Molecule; EPAC1; Activity

This is a PhD Research project in chemistry. This project is part of an ongoing collaborative research effort across several groups at Heriot-Watt and other institutions. The project will involve the design and synthesis of small molecule agonists and antagonists for the cellular signaling enzyme EPAC1. Design will be carried out by generating computational models of energetically favorable docking modes of existing ligands into EPAC1 homology model crystal structures before examination of these models and identification of new target analogue structures. Synthesis will then be undertaken using a wide variety of organic synthetic chemistry techniques. Samples of new compounds will then be passed on to collaborators for evaluation of biological activity.

这是一个化学博士研究项目。该项目是赫瑞瓦特和其他机构几个小组正在进行的合作研究工作的一部分。该项目将涉及细胞信号酶EPAC 1的小分子激动剂和拮抗剂的设计和合成。在检查这些模型和鉴定新的靶类似物结构之前，将通过生成现有配体与EPAC 1同源模型晶体结构的能量有利对接模式的计算模型来进行设计。然后将使用各种各样的有机合成化学技术进行合成。然后，新化合物的样品将被传递给合作者，以评估生物活性。

项目成果

Synthesis and Biochemical Evaluation of Noncyclic Nucleotide Exchange Proteins Directly Activated by cAMP 1 (EPAC1) Regulators.

由 cAMP 1 (EPAC1) 调节剂直接激活的非环状核苷酸交换蛋白的合成和生化评价。

• DOI: 10.1021/acs.jmedchem.9b02094
• 发表时间: 2020
• 期刊: Journal of medicinal chemistry
• 影响因子: 7.3
• 作者: Wang P