5, 5′-substituted indirubin-3′-oxime derivatives as potent cyclin-dependent kinase inhibitors with anticancer activity

SJ Choi, JE Lee, SY Jeong, I Im, SD Lee…

Index: Choi, Soo-Jeong; Lee, Jung-Eun; Jeong, Soon-Young; Im, Isak; Lee, So-Deok; Lee, Eun-Jin; Lee, Sang Kook; Kwon, Seong-Min; Ahn, Sang-Gun; Yoon, Jung-Hoon; Han, Sun-Young; Kim, Jae-Il; Kim, Yong-Chul Journal of Medicinal Chemistry, 2010 , vol. 53, # 9 p. 3696 - 3706

Full Text: HTML

Citation Number: 44

Abstract

To enhance the ability of indirubin derivatives to inhibit CDK2/cyclin E, a target of anticancer agents, we designed and synthesized a new series of indirubin-3′-oxime derivatives with combined substitutions at the 5 and 5′ positions. A molecular docking study predicted the binding of derivatives with OH or halogen substitutions at the 5′ position to the ATP binding site of CDK2, revealing the critical interactions that may explain the improved CDK2 ...