Pharmacophore identification of PAK4 inhibitors

摘要：

p21-activated kinase 4 (PAK4) is a serine-threonine protein kinase which plays an important role in a wide variety of human diseases including cancer. The inhibition of this kinase is of great interest for the treatment of cancer. In the present study, we report three pharmacophore models of PAK4 based on a small set of PAK4 inhibitors, a crystal structure of PAK4 and a docked complex between PAK4 and a potent inhibitor. These results might provide useful and reliable tools in identifying structurally diverse compounds with desired biological activity.

作者: Jian Wang Maocai Yan Dongmei Zhao Yu Sha Feng Li Maosheng Cheng

作者单位: Key Laboratory of New Drugs Design and Discovery of Liaoning Province, School of Pharmaceutical Engi Signal Transduction Program, Burnham Institute for Medical Research, 10901 N Torrey Pines Rd, La Jol Key Laboratory of Cell Biology of Ministry of Public Health of China, Department of Cell Biology, Ch

会议类型: 国际会议

会议名称: The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)

会议地点: 武汉

会议语种:英文

页码: 289-293

在线出版日期: 2010-09-01（万方平台首次上网日期，不代表论文的发表时间）