Mavunkel Babu, Xu Yong-Jin, Goyal Bindu, Lim Don, Lu Qing, Chen Zheng, Wang Dan-Xiong, Higaki Jeffrey, Chakraborty Indrani, Liclican Albert, Sideris Steve, Laney Maureen, Delling Ulrike, Catalano Rosanne, Higgins Linda S, Wang Hui, Wang Jing, Feng Ying, Dugar Sundeep, Levy Daniel E
Scios, Inc., 6500 Paseo Padre Parkway, Fremont, CA 94555, USA.
Bioorg Med Chem Lett. 2008 Apr 1;18(7):2404-8. doi: 10.1016/j.bmcl.2008.02.056. Epub 2008 Mar 4.
Non-ATP competitive pyrimidine-based inhibitors of CaMKIIdelta were identified. Computational studies were enlisted to predict the probable mode of binding. The results of the computational studies led to the design of ATP competitive inhibitors with optimized hinge interactions. Inhibitors of this class possessed improved enzyme and cellular activity compared to early leads.
