Discovery of Novel and Potent Cdc25 Phosphatase Inhibitors Based on the Structure-Based De Novo Design

Bulletin of the Korean chemical society

Hwangseo Park¹  Dae Gwin Jeong¹  Seong Eon Ryu¹  Suk Kyeong Jung¹  Young Jae Bahn¹  Seung Jun Kim¹ 

关键词: Cdc25 phosphatase;    De novo design;    Inhibitor;    Anticancer agents;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

Cdc25 phosphatases have been considered as attractive drug targets for anticancer therapy due to the correlation of their overexpression with a wide variety of cancers. We have been able to identify five novel Cdc25 phosphatase inhibitors with micromolar activity by means of a structure-based de novo design method with a known inhibitor scaffold. Because the newly discovered inhibitors are structurally diverse and have desirable physicochemical properties as a drug candidate, they deserve further investigation as anticancer drugs. The differences in binding modes of the identified inhibitors in the active sites of Cdc25A and B are addressed in detail.

【 授权许可】

Unknown